SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2c1i'

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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 10 GLY A 324
THR A 443
HIS A 321
THR A 298
GLY A 320
 None
 1.07A 1c9sN-2c1iA:
undetectable
1c9sO-2c1iA:
undetectable		 1c9sN-2c1iA:
11.88
1c9sO-2c1iA:
11.88
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.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 10 GLY A 320
GLY A 324
THR A 443
HIS A 321
THR A 298
 None
 1.08A 1c9sL-2c1iA:
undetectable
1c9sV-2c1iA:
undetectable		 1c9sL-2c1iA:
11.88
1c9sV-2c1iA:
11.88
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 7 VAL A 301
LEU A 356
VAL A 355
LEU A 287
 None
 0.83A 1cqpA-2c1iA:
undetectable
1cqpB-2c1iA:
undetectable		 1cqpA-2c1iA:
20.29
1cqpB-2c1iA:
20.29
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.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 9 GLY A 320
GLY A 324
THR A 443
HIS A 321
THR A 298
 None
 1.05A 1gtfD-2c1iA:
undetectable
1gtfE-2c1iA:
undetectable		 1gtfD-2c1iA:
11.88
1gtfE-2c1iA:
11.88
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 12 SER A 327
ASP A 418
LEU A 312
VAL A 301
ILE A 419
 None
 1.20A 1uobA-2c1iA:
undetectable		 1uobA-2c1iA:
22.30
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 7 ASP A 276
HIS A 330
LEU A 415
ILE A 370
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
None
None
 0.97A 3avpA-2c1iA:
undetectable		 3avpA-2c1iA:
21.90
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		6 / 11 SER A 360
GLU A 349
THR A 348
VAL A 313
VAL A 323
GLY A 324
 None
 1.19A 3kw4A-2c1iA:
undetectable		 3kw4A-2c1iA:
23.62
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 11 VAL A 153
GLY A 151
ALA A  79
TYR A 113
TYR A  81
 None
 1.46A 3qxyB-2c1iA:
undetectable
3qxyQ-2c1iA:
undetectable		 3qxyB-2c1iA:
21.68
3qxyQ-2c1iA:
3.70
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.
4A7T_A_5FWA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		3 / 3 ASP A  58
LYS A  57
ASP A  59
 None
 0.82A 4a7tA-2c1iA:
0.0		 4a7tA-2c1iA:
17.76
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.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A 439
PHE A 441
VAL A 408
ILE A 404
LEU A 272
 None
 1.37A 4k38B-2c1iA:
0.9		 4k38B-2c1iA:
22.59
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.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A 439
PHE A 441
VAL A 408
ILE A 404
LEU A 272
 None
 1.43A 4k39A-2c1iA:
undetectable		 4k39A-2c1iA:
22.59
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.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 LEU A 182
LEU A 178
GLU A 181
ILE A 220
 None
 0.85A 4ww7A-2c1iA:
undetectable		 4ww7A-2c1iA:
20.41
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		3 / 3 LEU A  53
ASP A  58
ILE A 134
 None
 0.64A 4xi3D-2c1iA:
undetectable		 4xi3D-2c1iA:
20.93
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.
5BMV_C_VLBC507_2
(TUBULIN ALPHA-1B
CHAIN)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 7 VAL A 313
ILE A 316
PHE A 299
VAL A 301
 None
 0.71A 5bmvC-2c1iA:
undetectable		 5bmvC-2c1iA:
21.17
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.
5KMW_A_PNNA305_0
(BETA-LACTAMASE
TOHO-1)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 4 ASN A 309
PRO A 280
ASN A 279
ASP A 418
 None
 1.39A 5kmwA-2c1iA:
0.0		 5kmwA-2c1iA:
21.41
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 LEU A 380
ALA A 454
LEU A 378
SER A 377
 None
 1.20A 5l4iB-2c1iA:
undetectable		 5l4iB-2c1iA:
16.13
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 ASP A 276
HIS A 326
HIS A 330
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
SO4  A1467 (-3.9A)
 0.21A 5ncdA-2c1iA:
25.4
5ncdD-2c1iA:
25.7		 5ncdA-2c1iA:
23.52
5ncdD-2c1iA:
23.52
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 ASP A 276
HIS A 326
HIS A 330
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
SO4  A1467 (-3.9A)
 0.07A 5ncdB-2c1iA:
25.8
5ncdC-2c1iA:
25.5		 5ncdB-2c1iA:
23.52
5ncdC-2c1iA:
23.52
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		6 / 8 ASP A 276
HIS A 326
HIS A 330
PRO A 366
TRP A 392
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
SO4  A1467 (-4.9A)
MES  A1464 (-3.3A)
SO4  A1467 (-3.9A)
 0.62A 5nekB-2c1iA:
25.7		 5nekB-2c1iA:
18.22
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		6 / 8 ASP A 276
HIS A 326
HIS A 330
TRP A 385
TRP A 392
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
None
MES  A1464 (-3.3A)
SO4  A1467 (-3.9A)
 0.77A 5nekD-2c1iA:
25.6		 5nekD-2c1iA:
18.22
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 ASP A 276
HIS A 326
HIS A 330
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
SO4  A1467 (-3.9A)
 0.25A 5nelA-2c1iA:
25.6
5nelD-2c1iA:
25.6		 5nelA-2c1iA:
23.52
5nelD-2c1iA:
23.52
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		4 / 6 HIS A 326
HIS A 330
LEU A 415
HIS A 417
 ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
None
SO4  A1467 (-3.9A)
 0.26A 5nelB-2c1iA:
25.6
5nelC-2c1iA:
25.7		 5nelB-2c1iA:
23.52
5nelC-2c1iA:
23.52
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.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		3 / 3 SER A 327
HIS A 330
TYR A 367
 None
ZN  A1465 ( 3.2A)
SO4  A1467 ( 4.3A)
 1.02A 5y2tA-2c1iA:
undetectable		 5y2tA-2c1iA:
undetectable