SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4w78'

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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 125
VAL A 149
TRP A 150
 None
 0.91A 1nrmA-4w78A:
undetectable		 1nrmA-4w78A:
6.99
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 125
VAL A 149
TRP A 150
 None
 0.91A 1nrmB-4w78A:
undetectable		 1nrmB-4w78A:
6.99
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 125
VAL A 149
TRP A 150
 None
 0.78A 1nt5A-4w78A:
undetectable		 1nt5A-4w78A:
5.06
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.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 125
VAL A 149
TRP A 150
 None
 0.78A 1nt5B-4w78A:
undetectable		 1nt5B-4w78A:
5.06
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		 4w78 HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		3 / 3 ASP B  55
LEU B  58
HIS B  35
 None
 0.69A 1qknA-4w78B:
undetectable		 1qknA-4w78B:
19.84
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 4w78 HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 11 VAL B  21
THR B  23
ALA B  86
ALA B  40
PRO B  17
 None
 0.93A 2admB-4w78B:
undetectable		 2admB-4w78B:
14.86
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 GLY A 128
GLU A 126
ASP A 129
 None
 0.57A 2b25B-4w78A:
undetectable		 2b25B-4w78A:
19.47
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 12 TRP A 150
THR A  73
ALA A  67
THR B  56
GLN A 146
 None
 1.20A 2ve3B-4w78A:
undetectable		 2ve3B-4w78A:
15.68
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.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		4 / 5 GLN B  60
ALA A  67
GLN A 109
ILE B  76
 None
 1.32A 2z0aA-4w78B:
undetectable		 2z0aA-4w78B:
22.63
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 12 LEU B  78
LEU B  80
ALA A  67
VAL B  50
PHE B  19
 None
 1.17A 3b0wA-4w78B:
undetectable		 3b0wA-4w78B:
19.18
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.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 4w78 HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 12 THR B  56
ASP B  55
VAL B  50
TRP B  84
PHE B  19
 None
 1.36A 3d4sA-4w78B:
undetectable		 3d4sA-4w78B:
14.01
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.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 12 ARG A  55
GLY B  68
SER B  70
ALA A  56
ALA A  53
 None
 1.03A 3sueB-4w78A:
undetectable		 3sueB-4w78A:
19.63
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		5 / 12 ARG A  55
GLY B  68
SER B  70
ALA A  56
ALA A  53
 None
 0.78A 3sufA-4w78A:
undetectable		 3sufA-4w78A:
19.63
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 4w78 HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		4 / 8 VAL B  50
TRP B  84
HIS B 117
PHE B  19
 None
 1.44A 3v35A-4w78B:
undetectable		 3v35A-4w78B:
17.58
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.
3V4T_H_ACTH504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 LYS A 168
GLU A 140
TRP A 142
 None
 1.26A 3v4tH-4w78A:
undetectable		 3v4tH-4w78A:
19.65
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.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		4 / 8 VAL A 130
VAL A  11
ILE A  14
LEU A  87
 None
 0.90A 4jq1B-4w78A:
undetectable		 4jq1B-4w78A:
20.18
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 130
VAL A  11
ILE A  14
LEU A  87
 None
 1.00A 4l1wB-4w78A:
undetectable		 4l1wB-4w78A:
20.18
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 4w78 HYDRATASE CHSH1
(Mycobacterium
tuberculosis) 		3 / 3 TRP A  72
GLN A 151
THR A  73
 None
 1.01A 4m2xA-4w78A:
undetectable		 4m2xA-4w78A:
22.87
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4w78 HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		4 / 5 PRO B  83
GLY B  81
ASP B  16
ASP B  55
 None
 1.14A 4n48B-4w78B:
undetectable		 4n48B-4w78B:
15.98
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  60
GLY A  58
LEU B  72
VAL A  63
 None
 0.92A 5x80A-4w78A:
undetectable
5x80B-4w78A:
undetectable		 5x80A-4w78A:
22.39
5x80B-4w78A:
22.39
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 4w78 HYDRATASE CHSH1
HYDRATASE CHSH2
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		5 / 12 ARG A  55
GLY B  68
SER B  70
ALA A  56
ALA A  53
 None
 1.00A 6c2mC-4w78A:
undetectable		 6c2mC-4w78A:
19.30