-->
Receptor
PDB id Resolution Class Description Source Keywords
1P1M 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THERMOTOGA MARITIMA AMIDOHYDROLASE TM0936 BOUND TO NI AND METHIONINE THERMOTOGA MARITIMA PUTATIVE METAL DEPENDENT HYDROLASE PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURE OF THE HYPOTHETICAL PROTEIN TM0936 FROM THERMOTOGA MARITIMA AT 1.5A BOUND TO NI AND METHIONINE TO BE PUBLISHED 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:5001;
Valid;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
NI A:9001;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P1M 1.5 Å NON-ENZYME: OTHER STRUCTURE OF THERMOTOGA MARITIMA AMIDOHYDROLASE TM0936 BOUND TO NI AND METHIONINE THERMOTOGA MARITIMA PUTATIVE METAL DEPENDENT HYDROLASE PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURE OF THE HYPOTHETICAL PROTEIN TM0936 FROM THERMOTOGA MARITIMA AT 1.5A BOUND TO NI AND METHIONINE TO BE PUBLISHED 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1P1M - MET C5 H11 N O2 S CSCC[C@@H]....
2 2PLM - SIB C14 H19 N5 O6 S c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P1M; Ligand: MET; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 1p1m.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1UO4 PIH None
3 4WG0 CHD None
4 2B56 U5P 1.23153
5 3SQP 3J8 1.47783
6 6CGN DA 1.47783
7 3NB0 G6P 1.72414
8 1KAE HSO 1.72414
9 3B9Z CO2 1.80412
10 4DXJ 0M9 1.9337
11 1Q7E MET 1.97044
12 3HP9 CF1 1.97044
13 1P72 THM 2.09581
14 1GVE CIT 2.14067
15 4WAS NAP 2.1978
16 5OLK DTP 2.21675
17 5KD8 TNR 2.21675
18 5A8E XTK 2.22222
19 3E70 GDP 2.43902
20 4BE9 7P9 2.46305
21 1YKD CMP 2.51256
22 3SFI 3SF 2.54237
23 5A86 D7E 2.54777
24 2Q09 DI6 2.70936
25 5VLC HSO 2.70936
26 5XJD 87L 2.72727
27 5IM3 DTP 2.95567
28 5IKH 6BW 2.95567
29 5WIU AQD 2.95567
30 1RL4 BL5 3.19149
31 1J78 VDY 3.20197
32 3SLS 77D 3.28947
33 1T27 PCW 3.32103
34 4MGA 27L 3.52941
35 4MG9 27K 3.52941
36 5AAV GW5 3.57143
37 4TV1 36M 3.58566
38 2ADA HPR 3.69318
39 1B4N GUA 3.69458
40 4F06 PHB 3.77358
41 2QCX PF1 3.80228
42 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 3.93443
43 3HYW DCQ 3.94089
44 3W54 RNB 3.95137
45 3KP6 SAL 3.97351
46 5C1M OLC 4
47 5C1M CLR 4
48 4IGH FMN 4.03226
49 4IGH 1EA 4.03226
50 4IGH ORO 4.03226
51 3QTP 2PG 4.18719
52 5LX9 OLB 4.23453
53 3V1S 0LH 4.34783
54 2GWH PCI 4.36242
55 5X80 SAL 4.375
56 3V66 D3A 4.41176
57 3VRV YSD 4.42804
58 2ZZV LAC 4.43213
59 4OB6 S2T 4.4335
60 3NMV PYV 4.49438
61 1KI6 AHU 4.53172
62 1XW6 GSH 4.58716
63 1M2Z BOG 4.66926
64 1R6N 434 4.73934
65 5CX6 CDP 4.92611
66 4MRP GSH 4.92611
67 2JC9 ADN 4.92611
68 2HZL PYR 4.93151
69 4M26 AKG 4.94506
70 4UMJ BFQ 5.06757
71 4UCC ZKW 5.15021
72 1Q19 SSC 5.17241
73 1N8V BDD 5.35714
74 1AUA BOG 5.40541
75 4B16 NAG 5.6391
76 4D4U FUC NDG GAL FUC 5.71429
77 1I0B PEL 6.0241
78 3LGG CFE 6.40394
79 3URB DPF 6.42202
80 4Z1D PEP 6.52174
81 1LN1 DLP 6.54206
82 1O5R FR9 6.74157
83 3ROE THM 6.79245
84 5TSH ADP 6.89655
85 2V5E SCR 6.93069
86 4YUS FMN 7.06806
87 5OCA 9QZ 7.14286
88 3TDC 0EU 7.38916
89 5M37 9SZ 7.3913
90 2UW1 GVM 7.39645
91 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.48299
92 5LWY OLB 7.56302
93 4RDZ MYR 7.59494
94 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 7.61905
95 4MLN ODV 7.65306
96 4IA6 EIC 7.88177
97 5AZC PGT 8
98 5CHR 4NC 8.0292
99 1XMY ROL 8.0402
100 1XM4 PIL 8.0402
101 1XMU ROF 8.0402
102 1XZ3 ICF 8.04598
103 2IYG FMN 8.06452
104 3CHT 4NB 8.63095
105 3P9T TCL 8.6758
106 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 8.69565
107 5EEH P9P 8.7766
108 2OZ5 7XY 8.78378
109 5M36 9SZ 9.17031
110 5Y02 HBX 9.34579
111 5Y02 MXN 9.34579
112 1RV1 IMZ 9.41177
113 4WGF HX2 9.7561
114 3MBI ADP 9.7561
115 5W7B MYR 9.92908
116 3G4G D71 10.5911
117 3TL1 JRO 10.6918
118 1UUY PPI 10.7784
119 3RMK BML 10.8434
120 3G58 988 11.2861
121 1NU4 MLA 11.3402
122 4YSX E23 11.5764
123 2G3F IZC 11.8227
124 3A76 SPD 12.5
125 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 12.7049
126 6AP8 BNY 13.0112
127 5UGW GSH 13.1429
128 1MT1 AG2 13.2743
129 1MID LAP 14.2857
130 3JRS A8S 14.9038
131 2ZCQ B65 15.0171
132 5V3Y 5V8 15.3846
133 2GBB CIT 15.3846
134 3WFD AXO 15.7534
135 2BCG GER 16.0194
136 4F4S EFO 17.1053
137 3EWC MCF 17.5202
138 4B1V LAB 18.75
139 5HCN DAO 19.5402
140 1T0S BML 19.7674
141 4OGQ 7PH 20.6897
142 4OGQ 1O2 20.6897
143 4O4Z N2O 24.026
144 3G08 FEE 24.2424
145 3RUG DB6 24.2424
146 2Y69 CHD 25.3968
147 4AQL TXC 31.7734
148 3O7U O7U 32.5123
149 4CQB MLI 34.4828
150 5Z84 PGV 36.1702
151 5Z84 CHD 36.1702
152 5W97 CHD 36.1702
153 5ZCO PGV 36.1702
154 2DYS PGV 36.1702
155 5ZCO CHD 36.1702
156 4RZB NFQ 38.67
Pocket No.: 2; Query (leader) PDB : 1P1M; Ligand: MET; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1p1m.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1TO9 HMH 3.84615
2 4TO8 FLC 6.16438
3 3KYQ DPV 8.0402
Pocket No.: 3; Query (leader) PDB : 1P1M; Ligand: MET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1p1m.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback