Receptor
PDB id Resolution Class Description Source Keywords
3OG9 1.88 Å EC: 3.-.-.- STRUCTURE OF YAHD WITH MALIC ACID LACTOCOCCUS LACTIS SUBSP. LACTIS ALPHA/BETA HYDROLASE COPPER HOMEOSTASIS MALIC ACID HYDROL
Ref.: REGULATION AND STRUCTURE OF YAHD, A COPPER INDUCIBL ALPHA/BETA HYDROLASE OF LACTOCOCCUS LACTIS IL1403 FEMS MICROBIOL.LETT. V. 314 57 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLT A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
134.087 C4 H6 O5 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OG9 1.88 Å EC: 3.-.-.- STRUCTURE OF YAHD WITH MALIC ACID LACTOCOCCUS LACTIS SUBSP. LACTIS ALPHA/BETA HYDROLASE COPPER HOMEOSTASIS MALIC ACID HYDROL
Ref.: REGULATION AND STRUCTURE OF YAHD, A COPPER INDUCIBL ALPHA/BETA HYDROLASE OF LACTOCOCCUS LACTIS IL1403 FEMS MICROBIOL.LETT. V. 314 57 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3OG9 - MLT C4 H6 O5 C([C@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3OG9 - MLT C4 H6 O5 C([C@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3OG9 - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DMR 1 1
2 LMR 1 1
3 MLT 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HR 0.5 0.666667
7 3HL 0.5 0.666667
8 TRC 0.478261 0.666667
9 2HG 0.461538 0.809524
10 S2G 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OG9; Ligand: MLT; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 3og9.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T4J PLP ABU 0.03181 0.41548 2.39234
2 5CXX FER 0.009152 0.41337 2.87081
3 1E8G FCR 0.03357 0.41833 3.34928
4 5AOA PPI 0.00172 0.44705 3.82775
5 1LBT T80 0.01437 0.41972 3.82775
6 4XF6 INS 0.03795 0.40463 3.82775
7 4XF6 LIP 0.03795 0.40463 3.82775
8 2D81 RB3 0.008482 0.41852 4.30622
9 4XT2 43L 0.01538 0.41691 5.12821
10 4OAR 2S0 0.02279 0.40628 5.26316
11 2BVL GLC 0.01479 0.42071 5.74163
12 2BVL UDP 0.01479 0.42071 5.74163
13 2VL8 CTS 0.02016 0.40786 6.2201
14 2VL8 UDP 0.0217 0.40786 6.2201
15 3DUV KDO 0.01268 0.40409 6.69856
16 2HU5 GLY PHE 0.01066 0.41511 7.6555
17 1NMB NAG NAG BMA MAN MAN MAN MAN 0.03029 0.40924 7.6555
18 4EWH T77 0.03953 0.40324 8.61244
19 5U5G 7VD 0.004938 0.42468 11.0048
20 1LLF F23 0.01451 0.43596 11.4833
21 1OGD RIP 0.009881 0.4021 14.5038
22 4XBT 3ZQ 0.01256 0.4072 16.7742
23 4J1Q NDP 0.03536 0.40333 21.5311
24 5SYN 71T 0.01164 0.41731 23.445
Pocket No.: 2; Query (leader) PDB : 3OG9; Ligand: MLT; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 3og9.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UWA 8ND 0.04391 0.40174 2.95567
2 4HK8 XYP XYP XYP XYP XYP XYP 0.01396 0.42161 3.1746
3 5L7G 6QE 0.02107 0.40483 4.30622
4 4ANW O92 0.03497 0.40306 4.30622
5 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 0.04855 0.40284 5.74163
6 5DLY 5D7 0.01898 0.4321 6.69856
7 5FQK 6NT 0.009218 0.40647 7.17703
8 5HZ9 5M8 0.02193 0.4065 8.88889
9 4LS7 1X9 0.01855 0.40602 10.0478
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