SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4iit'

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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 11 ALA C 201
LEU C  41
LEU C 144
GLY C 142
ALA C  94
 None
 1.16A 1b02A-4iitC:
undetectable		 1b02A-4iitC:
20.54
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.
1E7B_A_HLTA4002_1
(SERUM ALBUMIN)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAB
PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 4 ARG C 146
ALA B  30
ALA B  35
GLU B  37
 None
 0.95A 1e7bA-4iitC:
undetectable		 1e7bA-4iitC:
18.00
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.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAB
PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 4 ARG C 146
ALA B  30
ALA B  35
GLU B  37
 None
 0.92A 1e7bB-4iitC:
undetectable		 1e7bB-4iitC:
18.00
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.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAB
PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 5 ARG C 146
ALA B  30
ALA B  35
GLU B  37
 None
 0.96A 1e7cA-4iitC:
undetectable		 1e7cA-4iitC:
18.00
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.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		3 / 3 TRP C 198
VAL C 108
TRP C 106
 None
 1.49A 1gmkC-4iitC:
undetectable
1gmkD-4iitC:
undetectable		 1gmkC-4iitC:
4.08
1gmkD-4iitC:
4.08
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 12 LEU C  21
LEU C  25
GLY C  45
VAL C 133
ALA C  52
 None
 1.18A 1gs4A-4iitC:
2.6		 1gs4A-4iitC:
23.13
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.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 9 GLU C 193
LEU C  14
LEU C 114
ARG C 113
ALA C 109
 None
 1.22A 2bxcB-4iitC:
undetectable		 2bxcB-4iitC:
18.00
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 7 ILE C 187
PHE C  55
LYS C   5
TYR C  10
 None
 1.10A 3em0B-4iitC:
undetectable		 3em0B-4iitC:
20.08
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.
3NK2_X_LDPX433_1
(6-HYDROXY-L-NICOTINE
OXIDASE)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 7 TYR C 111
LEU C 182
LEU C 110
PHE C  55
 None
 1.29A 3nk2X-4iitC:
undetectable		 3nk2X-4iitC:
22.95
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 8 ARG C 244
ALA C  72
LEU C  56
ASP C  67
 None
 0.87A 3qj7A-4iitC:
undetectable
3qj7D-4iitC:
undetectable		 3qj7A-4iitC:
22.48
3qj7D-4iitC:
22.48
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 5 LEU C  25
ALA C  40
THR C  96
PHE C 139
 None
 1.09A 3vasB-4iitC:
undetectable		 3vasB-4iitC:
21.18
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.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 4 PRO C   6
LEU C 182
ILE C 187
ARG C 118
 None
 1.42A 3w1wA-4iitC:
undetectable		 3w1wA-4iitC:
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 11 LEU C  49
ASP C  16
LEU C  12
TYR C  80
ALA C  72
 None
 1.26A 4fogD-4iitC:
undetectable		 4fogD-4iitC:
22.90
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 12 GLY C 210
GLY C 148
GLY C 150
SER C 209
LEU C 206
 None
 0.87A 4uciA-4iitC:
undetectable		 4uciA-4iitC:
22.20
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 12 GLY C 210
GLY C 148
GLY C 150
SER C 209
LEU C 206
 None
 0.87A 4uciB-4iitC:
undetectable		 4uciB-4iitC:
22.20
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		5 / 12 GLY C 210
GLY C 148
GLY C 150
SER C 209
LEU C 206
 None
 0.87A 4uckA-4iitC:
undetectable		 4uckA-4iitC:
22.43
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.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAB
PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		3 / 3 TRP B   6
ILE C  37
GLU B  37
 None
 0.82A 6hcxA-4iitB:
undetectable		 6hcxA-4iitB:
18.75
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC
(Klebsiella
pneumoniae) 		4 / 7 ALA C  52
GLY C  15
GLY C 129
TYR C 111
 None
 0.86A 6nm4A-4iitC:
undetectable		 6nm4A-4iitC:
19.61