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Receptor
PDB id Resolution Class Description Source Keywords
2QS8 2.33 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A XAA-PRO DIPEPTIDASE WITH BOUND METHIO THE ACTIVE SITE ALTEROMONAS MACLEODII AMIDOHYDROLASE DIPEPTIDASE TIM BARREL PROTEIN STRUCTURE INITIATIVE PSI-2 9355E NYSGXRC STRUCTURAL GENOMICS NEWRESEARCH CENTER FOR STRUCTURAL GENOMICS HYDROLASE
Ref.: FUNCTIONAL ANNOTATION OF TWO NEW CARBOXYPEPTIDASES AMIDOHYDROLASE SUPERFAMILY OF ENZYMES. BIOCHEMISTRY V. 48 4567 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:600;
B:700;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
MG A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QS8 2.33 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A XAA-PRO DIPEPTIDASE WITH BOUND METHIO THE ACTIVE SITE ALTEROMONAS MACLEODII AMIDOHYDROLASE DIPEPTIDASE TIM BARREL PROTEIN STRUCTURE INITIATIVE PSI-2 9355E NYSGXRC STRUCTURAL GENOMICS NEWRESEARCH CENTER FOR STRUCTURAL GENOMICS HYDROLASE
Ref.: FUNCTIONAL ANNOTATION OF TWO NEW CARBOXYPEPTIDASES AMIDOHYDROLASE SUPERFAMILY OF ENZYMES. BIOCHEMISTRY V. 48 4567 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2QS8 - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2QS8 - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 2QS8 - MET C5 H11 N O2 S CSCC[C@@H]....
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 : 2QS8; Ligand: MET; Similar sites found with APoc: 72
This union binding pocket(no: 1) in the query (biounit: 2qs8.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2C91 NAP 1.18343
2 3I8P 840 1.43541
3 2WYA HMG 1.67464
4 2CE7 ADP 1.67464
5 2F2U M77 1.74129
6 4WNP 3RJ 1.74216
7 2GMH UQ5 1.91388
8 4M26 SIN 1.92308
9 4M26 ZZU 1.92308
10 2CWH PYC 2.04082
11 2CWH NDP 2.04082
12 5HVJ ANP 2.22222
13 2OI2 DP6 2.39726
14 1HG4 LPP 2.86738
15 1GTE FMN 2.87081
16 1GTE IUR 2.87081
17 3FQ8 PMP 2.87081
18 3FSM 2NC 2.95567
19 4L3L 5FI 2.96053
20 4QA8 PJZ 3.05677
21 2WBP ZZU 3.07263
22 2WBP SIN 3.07263
23 5FI3 NAP 3.08123
24 5L13 6ZE 3.11005
25 2Z7R STU 3.11526
26 3C0G 3AM 3.1339
27 4YZN 4K5 3.13589
28 4F07 FAD 3.15789
29 2OVD DAO 3.2967
30 4RJK TPP 3.58852
31 5YAK YOF 3.78788
32 2YIC TPP 3.82775
33 5YSQ INS 3.84615
34 4QYS PLP SEP 4.06699
35 2V5X V5X 4.12371
36 3V8S 0HD 4.14634
37 5UR1 YY9 4.18006
38 6AZQ C5J 4.19847
39 1V7C HEY 4.2735
40 3DVA TPW 4.30769
41 4OOE FOM 4.70297
42 4OOE NDP 4.70297
43 5HWO HMG 4.78469
44 3N7H DE3 4.8
45 2P3C 3TL 5.05051
46 5WKC AUJ 5.26316
47 5EXE 5SR 5.31646
48 4EKQ NPO 5.34759
49 2GCG NDP 5.45455
50 3M0J OAF 5.86319
51 2PZI AXX 6.2201
52 2VG1 FPP 6.57895
53 1K97 CIR 6.9378
54 1K97 ASP 6.9378
55 1SIV PSI 7.07071
56 4Q5M ROC 7.38916
57 5BNS 4VM 7.57098
58 5AAV GW5 7.89474
59 5BYK A3P 8.10811
60 5BYK OAQ 8.10811
61 3B1J NAD 8.25959
62 3HRD FAD 8.75
63 3E9I XAH 9.80861
64 1XPM HMG 10.3535
65 1KEV NDP 11.396
66 4C2W ANP 11.5385
67 3AD8 NAD 12.1212
68 2JBM SRT 12.3746
69 3T3C 017 15.1515
70 6C8X BVR 16.1616
71 3IS2 FAD 24.026
72 1IDA 0PO 24.2424
Pocket No.: 2; Query (leader) PDB : 2QS8; 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: 2) in the query (biounit: 2qs8.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QS8; 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: 2qs8.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2QS8; 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: 4) in the query (biounit: 2qs8.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2QS8; Ligand: MET; Similar sites found with APoc: 53
This union binding pocket(no: 5) in the query (biounit: 2qs8.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6BXL SAM 1.0582
2 6GG9 FMN 1.23457
3 4UX9 ANP 1.37363
4 1HZP DAO 1.49254
5 4K33 ACP 1.53846
6 3EYA FAD 1.67464
7 3EYA TDP 1.67464
8 6GNF QPS 1.67464
9 3F7Z 34O 1.71429
10 5ICE SAH 1.98864
11 6E2O S0L 2.0339
12 3KJS NAP 2.15311
13 2JDR L20 2.33918
14 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.33918
15 1U59 STU 2.78746
16 2RIO ADP 2.87081
17 5JKG 6LF 2.89389
18 3GE7 AFQ 3.10881
19 5U8U FAD 3.11005
20 4M5P FMN 3.58852
21 1H7F C5P 3.67347
22 2UXI G50 3.80952
23 5GUD NDP 3.82775
24 5GUD 2IT 3.82775
25 4R3U 3KK 3.82775
26 4R3U 3HC 3.82775
27 3LL5 IPE 4.01606
28 1OJ4 ANP 4.30622
29 4EUU BX7 4.38871
30 5X40 ACP 4.79452
31 2B8T THM 4.93274
32 1QM5 GLC GLC GLC PO4 SGC GLC 5.02392
33 3P7N FMN 5.03876
34 1RKD RIB 5.17799
35 1RKD ADP 5.17799
36 1AOE GW3 5.20833
37 1AOE NDP 5.20833
38 6BII NAP 5.40541
39 3FEI CTM 5.99251
40 5LVP ATP 6.10932
41 5KGS 6SR 6.45933
42 4FC7 COA 6.4982
43 4FC7 NAP 6.4982
44 1V97 FAD 6.69856
45 5G1X ADP 7.93651
46 2HY0 306 8.07453
47 5Y6Q FAD 9.33014
48 1ZEI CRS 9.43396
49 1XPK HMG 10.567
50 1MDC PLM 12.1212
51 3VPB ADP 12.5
52 4C5N ACP 16.6667
53 3BRN SRO 17.1975
Pocket No.: 6; Query (leader) PDB : 2QS8; 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: 6) in the query (biounit: 2qs8.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2QS8; 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: 7) in the query (biounit: 2qs8.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2QS8; 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: 8) in the query (biounit: 2qs8.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2QS8; 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: 9) in the query (biounit: 2qs8.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2QS8; 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: 10) in the query (biounit: 2qs8.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2QS8; 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: 11) in the query (biounit: 2qs8.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2QS8; 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: 12) in the query (biounit: 2qs8.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2QS8; 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: 13) in the query (biounit: 2qs8.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2QS8; 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: 14) in the query (biounit: 2qs8.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2QS8; 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: 15) in the query (biounit: 2qs8.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2QS8; 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: 16) in the query (biounit: 2qs8.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2QS8; Ligand: MET; Similar sites found with APoc: 4
This union binding pocket(no: 17) in the query (biounit: 2qs8.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4PNI KQQ 2.39234
2 1TT8 PHB 3.65854
3 5JFL NAD 3.82775
4 3FHI ANP 4.54545
Pocket No.: 18; Query (leader) PDB : 2QS8; Ligand: MET; Similar sites found with APoc: 4
This union binding pocket(no: 18) in the query (biounit: 2qs8.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1O68 KIV 2.54545
2 4L2I FAD 4.18251
3 3NRZ FAD 6.69856
4 1XG4 ICT 14.9153
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