SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4cw5'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 9 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.99A 1hxwA-4cw5A:
undetectable
1hxwA-4cw5A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 ALA A 553
PHE A 555
GLY A 557
ILE A 539
LEU A 742
None
1.02A 1kglA-4cw5A:
undetectable
1kglA-4cw5A:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUI_B_AB1B100_2
(PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.84A 1muiB-4cw5A:
undetectable
1muiB-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 534
GLY A 552
VAL A 494
TYR A 321
ARG A 518
None
1.27A 1n2xA-4cw5A:
undetectable
1n2xA-4cw5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.89A 1rl8A-4cw5A:
undetectable
1rl8A-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RL8_A_RITA9001_2
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.88A 1rl8B-4cw5A:
undetectable
1rl8B-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.91A 1sdtB-4cw5A:
undetectable
1sdtB-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.88A 2aquA-4cw5A:
undetectable
2aquA-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 11 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.86A 2aquB-4cw5A:
undetectable
2aquB-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.87A 2b60A-4cw5A:
undetectable
2b60A-4cw5A:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 11 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.87A 2b60B-4cw5A:
undetectable
2b60B-4cw5A:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.96A 2qhcB-4cw5A:
undetectable
2qhcB-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_D_1UND900_2
(PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.93A 2r5qD-4cw5A:
undetectable
2r5qD-4cw5A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.90A 2rkfA-4cw5A:
undetectable
2rkfA-4cw5A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.87A 2rkgA-4cw5A:
undetectable
2rkgA-4cw5A:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
1.14A 2v7bA-4cw5A:
undetectable
2v7bA-4cw5A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
1.13A 2v7bB-4cw5A:
undetectable
2v7bB-4cw5A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.04A 3eeyA-4cw5A:
undetectable
3eeyA-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.05A 3eeyB-4cw5A:
undetectable
3eeyB-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.06A 3eeyC-4cw5A:
undetectable
3eeyC-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.04A 3eeyD-4cw5A:
undetectable
3eeyD-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.03A 3eeyE-4cw5A:
undetectable
3eeyE-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.03A 3eeyF-4cw5A:
undetectable
3eeyF-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.02A 3eeyH-4cw5A:
undetectable
3eeyH-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.04A 3eeyI-4cw5A:
undetectable
3eeyI-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
None
None
None
None
FMN  A1753 (-2.8A)
1.02A 3eeyJ-4cw5A:
undetectable
3eeyJ-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.89A 3ekqA-4cw5A:
undetectable
3ekqA-4cw5A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_1
(PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.90A 3ekyA-4cw5A:
undetectable
3ekyA-4cw5A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)
4cw5 DFNA
(Bacillus
velezensis)
4 / 6 ILE A 561
THR A 739
PHE A 549
TYR A 327
None
1.30A 3elzB-4cw5A:
undetectable
3elzB-4cw5A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_P_TFPP201_1
(PROTEIN S100-A4)
4cw5 DFNA
(Bacillus
velezensis)
4 / 7 GLY A 382
GLY A 355
CYH A 493
PHE A 317
None
0.88A 3ko0M-4cw5A:
undetectable
3ko0P-4cw5A:
undetectable
3ko0M-4cw5A:
12.31
3ko0P-4cw5A:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)
4cw5 DFNA
(Bacillus
velezensis)
4 / 7 GLY A 559
ASN A 562
GLY A 355
THR A 356
FMN  A1753 (-3.0A)
None
None
None
0.73A 3tajA-4cw5A:
undetectable
3tajA-4cw5A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_1
(HIV-1 PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.93A 3ttpA-4cw5A:
undetectable
3ttpA-4cw5A:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_2
(HIV-1 PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.96A 3ttpB-4cw5A:
undetectable
3ttpB-4cw5A:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)
4cw5 DFNA
(Bacillus
velezensis)
3 / 3 ARG A 726
ASP A 585
GLN A 584
None
0.84A 4azsA-4cw5A:
undetectable
4azsA-4cw5A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
1.11A 4eatB-4cw5A:
undetectable
4eatB-4cw5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)
4cw5 DFNA
(Bacillus
velezensis)
4 / 6 THR A 329
GLY A 559
ASN A 562
GLY A 335
None
FMN  A1753 (-3.0A)
None
None
0.91A 4fjpA-4cw5A:
undetectable
4fjpA-4cw5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 ALA A 548
GLY A 540
GLY A 538
LEU A 708
ALA A 545
None
None
FMN  A1753 (-3.5A)
None
None
1.15A 4lg1C-4cw5A:
undetectable
4lg1C-4cw5A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 ALA A 536
GLY A 537
GLY A 538
ILE A 556
GLY A 534
FMN  A1753 ( 3.3A)
FMN  A1753 (-3.4A)
FMN  A1753 (-3.5A)
None
None
1.04A 4obwB-4cw5A:
undetectable
4obwB-4cw5A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WAN_C_ACTC303_0
(BRANCHPOINT-BRIDGING
PROTEIN)
4cw5 DFNA
(Bacillus
velezensis)
3 / 3 ASP A 619
ARG A 600
PRO A 590
None
1.06A 4wanC-4cw5A:
undetectable
4wanC-4cw5A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)
4cw5 DFNA
(Bacillus
velezensis)
4 / 7 TYR A 700
GLY A 692
SER A 571
LEU A 690
None
1.12A 5bphB-4cw5A:
undetectable
5bphB-4cw5A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)
4cw5 DFNA
(Bacillus
velezensis)
4 / 7 ILE A 364
ILE A 399
ILE A 410
LEU A 403
None
0.78A 5fukA-4cw5A:
undetectable
5fukB-4cw5A:
undetectable
5fukA-4cw5A:
20.43
5fukB-4cw5A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T2Z_B_017B201_1
(PROTEASE)
4cw5 DFNA
(Bacillus
velezensis)
5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
FMN  A1753 (-3.0A)
None
None
None
None
0.99A 5t2zA-4cw5A:
undetectable
5t2zA-4cw5A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)
4cw5 DFNA
(Bacillus
velezensis)
3 / 3 ARG A 687
ARG A 656
ARG A 645
None
0.99A 6bplA-4cw5A:
undetectable
6bplB-4cw5A:
undetectable
6bplA-4cw5A:
11.95
6bplB-4cw5A:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)
4cw5 DFNA
(Bacillus
velezensis)
4 / 5 LEU A 386
ILE A 556
MET A 332
GLY A 355
FMN  A1753 (-3.2A)
None
FMN  A1753 (-3.6A)
None
1.04A 6hd6A-4cw5A:
undetectable
6hd6A-4cw5A:
12.13