Receptor
PDB id Resolution Class Description Source Keywords
3ZVS 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ARCHAEMETZINCIN (AMZA) FROM ARCHAEOGLOB FULGIDUS AT 1.4 A RESOLUTION COMPLEXED WITH MALONATE ARCHAEOGLOBUS FULGIDUS METALLOPROTEASE PROTEASE HYDROLASE METZINCIN METAL-BINDI
Ref.: CRYSTAL STRUCTURES OF ARCHAEMETZINCIN REVEAL A MOLD SUBSTRATE-BINDING SITE. PLOS ONE V. 7 43863 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1161;
A:1162;
B:1163;
C:1161;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
ZN A:1159;
A:1160;
B:1161;
B:1162;
C:1159;
C:1160;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZVS 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ARCHAEMETZINCIN (AMZA) FROM ARCHAEOGLOB FULGIDUS AT 1.4 A RESOLUTION COMPLEXED WITH MALONATE ARCHAEOGLOBUS FULGIDUS METALLOPROTEASE PROTEASE HYDROLASE METZINCIN METAL-BINDI
Ref.: CRYSTAL STRUCTURES OF ARCHAEMETZINCIN REVEAL A MOLD SUBSTRATE-BINDING SITE. PLOS ONE V. 7 43863 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 SIN 0.5 0.785714
4 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found: 57
This union binding pocket(no: 1) in the query (biounit: 3zvs.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5L4S 6KX 0.04747 0.40993 1.25
2 5L4S NAP 0.04747 0.40993 1.25
3 3AHO 3A2 0.001827 0.45428 2.5
4 1QJI PKF 0.0001329 0.54333 3.125
5 1Y79 LYS TRP 0.001014 0.45441 3.125
6 5MR6 FAD 0.015 0.41919 3.125
7 4DV8 0LX 0.0001075 0.50565 3.75
8 5MEX SZZ 0.04504 0.40898 3.75
9 5KD8 TNR 0.005049 0.4059 3.75
10 3SVJ 4LI 0.0007715 0.4743 4.375
11 3B20 NAD 0.01537 0.42298 4.375
12 4ZW3 4S9 0.0002405 0.50651 5
13 3M6P BB2 0.0007089 0.45101 5
14 5DEX 5E0 0.01838 0.41304 5
15 5A0R ACE GLU VAL ASN PRO 0.006188 0.41123 5
16 3Q2H QHF 0.0000003418 0.40716 5
17 4ARF IP8 GLY PRO ALA 0.000009135 0.57821 5.625
18 1KAP GLY SER ASN SER 0.00001436 0.57541 5.625
19 1YP1 LYS ASN LEU 0.000000241 0.48797 5.625
20 4WKI 3PW 0.0000007415 0.43958 5.625
21 1UP7 G6P 0.002737 0.42777 5.625
22 1KQB BEZ 0.033 0.42077 5.625
23 4WZV E40 0.00000009667 0.71521 6.25
24 3HY9 098 0.0000005263 0.63171 6.25
25 2XQ0 BES 0.000001155 0.61597 6.875
26 1R55 097 0.000000782 0.46114 6.875
27 4KX8 L2O VAL VAL ASP 0.0009381 0.44479 6.875
28 1BKC INN 0.0000004173 0.44511 7.5
29 2W14 WR2 0.0000003498 0.43755 7.5
30 1ATL 0QI 0.0000001916 0.6752 8.125
31 4DD8 BAT 0.0000008276 0.59809 8.125
32 4AIG FLX 0.000002212 0.43853 8.125
33 3ML1 MGD 0.04418 0.41507 8.125
34 4WB6 ATP 0.03966 0.4046 8.125
35 1Q3A NGH 0.00000109 0.4548 8.75
36 1PDZ PGA 0.005781 0.406 8.75
37 1RM8 BAT 0.0000001916 0.49032 9.375
38 1MMQ RRS 0.0000004157 0.41375 9.375
39 4RSL FAD 0.02155 0.41223 9.375
40 1G7V PAI 0.03246 0.40627 9.375
41 3MYU VIB 0.01759 0.4053 9.375
42 4AR8 IP8 GLY PRO ALA 0.00000632 0.57497 10
43 2ZXG S23 0.00005263 0.53193 10
44 3DWB RDF 0.001514 0.43559 10
45 3TKY SAH 0.01036 0.4146 10
46 1WYV PLP AOA 0.0236 0.4051 10
47 4B52 RDF 0.001087 0.44353 10.625
48 1H70 CIR 0.01117 0.4004 10.625
49 4QHP 32Q 0.002841 0.42788 11.25
50 2CWH PYC 0.04636 0.40953 11.875
51 5HES 032 0.0188 0.40318 11.875
52 1HFS L04 0.000001579 0.63081 12.5
53 1FBL HTA 0.000002733 0.5692 12.5
54 3WV1 WHH 0.000001507 0.646 13.125
55 1KUK PCA LYS TRP 0.000002679 0.57108 13.125
56 5BO9 CSF 0.04535 0.4077 13.125
57 2J83 BAT 0.000001568 0.60467 23.75
Pocket No.: 2; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 3zvs.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VPV PLM 0.03885 0.40577 1.875
2 3TYZ PAB 0.023 0.41848 2.5
3 1YOK P6L 0.04234 0.41501 3.125
4 4H07 IPH 0.02502 0.41267 4.54545
5 5KF6 FAD 0.01363 0.42347 5
6 5KF6 TFB 0.01363 0.42347 5
7 4DL8 UMP AF3 PO4 0.01109 0.41922 5
8 3LCV SAM 0.01869 0.40918 5.625
9 1VB9 GLC GLC GLC GLC GLC GLC 0.02651 0.4071 6.25
10 4PNE SAH 0.01014 0.40617 6.25
11 1TIW TFB 0.01293 0.41918 6.875
12 5B4B LP5 0.03093 0.40496 8.125
13 1YKI NFZ 0.03037 0.40292 9.375
14 1YKI FMN 0.02694 0.40292 9.375
15 5ULJ 0WD 0.01545 0.40044 13.75
16 5DO8 BGC 0.01725 0.41157 14.375
Pocket No.: 3; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found: 23
This union binding pocket(no: 3) in the query (biounit: 3zvs.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RL4 BRR 0.001327 0.44757 None
2 4AKB GAL 0.009394 0.40473 None
3 1G27 BB1 0.000976 0.40005 1.25
4 3HVJ 705 0.03715 0.41295 1.875
5 3E3U NVC 0.000607 0.42737 3.75
6 4GAA BES 0.0004543 0.42576 4.375
7 5JF2 SF7 0.0004454 0.4122 4.375
8 1WS1 BB2 0.001169 0.41004 4.48718
9 1Q1Y BB2 0.0003881 0.43651 5
10 3G5K BB2 0.0002954 0.43161 5
11 4DR9 BB2 0.001003 0.4118 5
12 3CIF G3H 0.04478 0.40655 5.625
13 2GTE VA 0.03274 0.40082 5.64516
14 2FV5 541 0.00001167 0.40449 7.5
15 1L0I PSR 0.01382 0.40015 7.69231
16 2J8C SPO 0.04313 0.42674 8.125
17 2EW5 Y12 0.01564 0.41098 9.39227
18 2OKL BB2 0.0004993 0.42031 10
19 5U3B 7TD 0.04336 0.40085 10
20 2TCL RO4 0.00000586 0.46447 10.625
21 1JNR FAD 0.04481 0.43058 10.6667
22 4RW3 PLM 0.01783 0.41837 17.5
23 3TNF GNP 0.03064 0.40645 21.875
Pocket No.: 4; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3zvs.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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