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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 253 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 209 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 173 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: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 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 with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 3zvs.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4JE7 BB2 None
2 1RL4 BRR None
3 2ZRU FMN None
4 2WAT COA None
5 4INB 1F6 None
6 1G27 BB1 1.25
7 5L4S 6KX 1.25
8 5L4S NAP 1.25
9 3K7S R52 1.875
10 1KYZ SAH 1.875
11 2JAJ D20 1.875
12 3FHI ANP 1.94805
13 3AHO 3A2 2.5
14 4R57 ACO 2.5
15 2J7T 274 2.5
16 1QJI PKF 3.125
17 1Y79 LYS TRP 3.125
18 5MR6 FAD 3.125
19 3P0K FAD 3.125
20 3E3U NVC 3.75
21 4DV8 0LX 3.75
22 6BR8 6OU 3.75
23 5MEX SZZ 3.75
24 4DM8 REA 3.75
25 5KD8 TNR 3.75
26 4YFY 1YJ 3.75
27 4GAA BES 4.375
28 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 4.375
29 3C88 ARG ARG GLY CYS NH2 4.375
30 4EOX 0S5 4.375
31 5JF2 SF7 4.375
32 5WP4 SAH 4.375
33 5WP5 SAH 4.375
34 1LQY BB2 4.375
35 4CA5 3EF 4.375
36 3B20 NAD 4.375
37 1WS1 BB2 4.48718
38 3Q2H QHF 5
39 4ZW3 4S9 5
40 4DR9 BB2 5
41 3G5K BB2 5
42 1Q1Y BB2 5
43 3D3X ARG ILE MET GLU NH2 5
44 3M6P BB2 5
45 1UHK CZN 5
46 5DEX 5E0 5
47 2PW0 TRC 5
48 5WXK TYD 5
49 5MTE BB2 5.10949
50 1YP1 LYS ASN LEU 5.625
51 4WKI 3PW 5.625
52 1KAP GLY SER ASN SER 5.625
53 5O7E 9NB 5.625
54 1UP7 G6P 5.625
55 1KQB BEZ 5.625
56 3HBV ALA LYS ALA SER GLN ALA ALA 5.625
57 5Y72 DST 5.625
58 1TMO 2MD 5.625
59 2PBD ATP 5.625
60 3CIF G3H 5.625
61 4WZV E40 6.25
62 6BTQ E8S 6.25
63 6BTN E8M 6.25
64 6BTP E8J 6.25
65 6BSM E7D 6.25
66 6BSL EVV 6.25
67 4KRI SAH 6.25
68 4TMN 0PK 6.25
69 5GM1 SAH 6.25
70 2B4R NAD 6.25
71 2GMH FAD 6.25
72 4R6W PC 6.25
73 4R6W SAH 6.25
74 4E70 N7I 6.25
75 1Z08 GNP 6.25
76 2XQ0 BES 6.875
77 1R55 097 6.875
78 4KX8 L2O VAL VAL ASP 6.875
79 5EK3 5PK 6.875
80 3ODU ITD 6.875
81 3UWB BB2 7.14286
82 2W14 WR2 7.5
83 1BKC INN 7.5
84 2FV5 541 7.5
85 2RHQ GAX 7.5
86 1ATL 0QI 8.125
87 4AIG FLX 8.125
88 4DD8 BAT 8.125
89 3ML1 MGD 8.125
90 4WB6 ATP 8.125
91 5WBF LAC 8.125
92 4BOL J0J 8.125
93 1Q3A NGH 8.75
94 1ZVX FIN 8.75
95 1PDZ PGA 8.75
96 1RM8 BAT 9.375
97 1MMQ RRS 9.375
98 1S17 GNR 9.375
99 4RSL FAD 9.375
100 1G7V PAI 9.375
101 3MYU VIB 9.375
102 4AR8 IP8 GLY PRO ALA 10
103 2ZXG S23 10
104 5ZI7 GLU 10
105 2OKL BB2 10
106 3DWB RDF 10
107 3TKY SAH 10
108 1WYV PLP AOA 10
109 2TCL RO4 10.625
110 4B52 RDF 10.625
111 1H70 CIR 10.625
112 4QHP 32Q 11.25
113 2YB9 HA0 11.25
114 2CWH PYC 11.875
115 5HES 032 11.875
116 1HFS L04 12.5
117 1FBL HTA 12.5
118 1XKQ NDP 12.5
119 3TWO NDP 12.5
120 3WV1 WHH 13.125
121 1KUK PCA LYS TRP 13.125
122 5BO9 CSF 13.125
123 5ZCO PSC 13.6986
124 5H0U HIS HIS HIS HIS HIS HIS 14.375
125 4C3Y ANB 14.375
126 4C3Y FAD 14.375
127 5G57 6M5 14.375
128 2J83 BAT 23.75
129 2VJ8 HA2 34.375
130 3BU5 ATP 40
Pocket No.: 2; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 3zvs.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1VPV PLM 1.875
2 6CZ3 FLJ 1.875
3 2X61 NGA GAL SIA 1.875
4 3A51 VDY 1.875
5 1AJ0 PH2 2.5
6 1AJ0 SAN 2.5
7 3TYZ PAB 2.5
8 3PFG SAM 2.5
9 3PFG TLO 2.5
10 2WSB NAD 2.5
11 1YOK P6L 3.125
12 4OOE FOM 3.125
13 3SXS PP2 3.75
14 3JZ0 APC 3.75
15 3F3E LEU 3.75
16 1V5Y FMN 3.75
17 1V5Y 4HC 3.75
18 4CQM NAP 3.75
19 2YAY DUP 4.375
20 1FP2 SAH 4.375
21 1FP2 HMO 4.375
22 4H07 IPH 4.54545
23 5KF6 TFB 5
24 5KF6 FAD 5
25 4DL8 UMP AF3 PO4 5
26 2VBA P4T 5
27 5ZCE MTT 5
28 3LCV SAM 5.625
29 1VB9 GLC GLC GLC GLC GLC GLC 6.25
30 1X1T NAD 6.25
31 4PNE SAH 6.25
32 1TIW FAD 6.875
33 1TIW TFB 6.875
34 5GUD NDP 6.875
35 5GUD 2IT 6.875
36 2X06 NAD 6.875
37 4D9M 0JO 7.5
38 2GJN NIS 7.5
39 5B4B LP5 8.125
40 4YDU ADP 8.75
41 3PNL ADP 8.75
42 1YKI FMN 9.375
43 1YKI NFZ 9.375
44 3SLS ANP 10.625
45 3E8N ATP 10.625
46 3E8N VRA 10.625
47 3WBF API 10.625
48 5JWC 4W0 10.625
49 5WCZ NOJ 12.5
50 5ULJ 0WD 13.75
51 2ZFZ ARG 13.9241
52 5DO8 BGC 14.375
53 1H5Q NAP 23.75
Pocket No.: 3; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: 39
This union binding pocket(no: 3) in the query (biounit: 3zvs.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC None
2 4WG0 CHD None
3 1TOQ AMG None
4 4AKB GAL None
5 1JAC AMG None
6 5N26 CPT 1.875
7 3HVJ 705 1.875
8 2YOH WMJ 2.5
9 4WOP CTP 2.66667
10 4BXK 1IU 3.75
11 4YCA NDP 3.75
12 4OHU 2TK 3.75
13 4OHU NAD 3.75
14 1Q0H NDP 3.75
15 3KPB SAM 4.91803
16 5CX8 TG6 5
17 5A0R ACE GLU VAL ASN PRO 5
18 4F06 PHB 5
19 2YPO PHE 5.625
20 4GID 0GH 5.625
21 4MRP GSH 5.625
22 2GTE VA 5.64516
23 2JLD AG1 6.25
24 1M5B BN1 6.875
25 5EHR 5OD 6.875
26 3GZ9 D32 7.5
27 1L0I PSR 7.69231
28 5XNA SHV 7.97101
29 2J8C SPO 8.125
30 2J8C U10 8.125
31 2EW5 Y12 9.39227
32 5U3B 7TD 10
33 5WS9 AMP 10
34 1JNR FAD 10.6667
35 6GMN F4E 11.3402
36 1TV5 A26 12.5
37 1NXJ GLV 14.375
38 4RW3 PLM 17.5
39 3TNF GNP 21.875
Pocket No.: 4; Query (leader) PDB : 3ZVS; Ligand: MLI; 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: 3zvs.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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