Receptor
PDB id Resolution Class Description Source Keywords
2ZZV 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PERIPLASMIC SUBSTRATE BINDING PROTEIN IN COMPLEX WITH CALCIUM AND LACTATE THERMUS THERMOPHILUS PERIPLASMIC SUBSTRATE BINDING PROTEIN CALCIUM LACTATE TRAP TRANSPORTER TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A PERIPLASMIC SUBSTRATE-BINDING PROTEIN IN COMPLEX WITH CALCIUM LACTATE J.MOL.BIOL. V. 392 559 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
LAC A:401;
B:402;
Valid;
Valid;
none;
none;
submit data
90.078 C3 H6 O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZZV 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PERIPLASMIC SUBSTRATE BINDING PROTEIN IN COMPLEX WITH CALCIUM AND LACTATE THERMUS THERMOPHILUS PERIPLASMIC SUBSTRATE BINDING PROTEIN CALCIUM LACTATE TRAP TRANSPORTER TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURE OF A PERIPLASMIC SUBSTRATE-BINDING PROTEIN IN COMPLEX WITH CALCIUM LACTATE J.MOL.BIOL. V. 392 559 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2ZZW - LAC C3 H6 O3 C[C@H](C(=....
2 2ZZV - LAC C3 H6 O3 C[C@H](C(=....
3 2ZZX - LAC C3 H6 O3 C[C@H](C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2ZZW - LAC C3 H6 O3 C[C@H](C(=....
2 2ZZV - LAC C3 H6 O3 C[C@H](C(=....
3 2ZZX - LAC C3 H6 O3 C[C@H](C(=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2ZZW - LAC C3 H6 O3 C[C@H](C(=....
2 2ZZV - LAC C3 H6 O3 C[C@H](C(=....
3 2ZZX - LAC C3 H6 O3 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 LAC 1 1
2 2OP 1 1
3 HBS 0.6 0.615385
4 HBR 0.6 0.615385
5 2RH 0.5 0.631579
6 TAR 0.5 0.611111
7 SRT 0.5 0.611111
8 TLA 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 QFH 0.428571 0.631579
13 WTZ 0.428571 0.631579
14 23B 0.428571 0.631579
15 RAT 0.421053 0.611111
16 GAE 0.421053 0.611111
17 LGT 0.421053 0.611111
18 3LR 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZZV; Ligand: LAC; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 2zzv.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EKK GS2 0.02338 0.42393 1.62866
2 1B9I PXG 0.01987 0.41197 1.66205
3 3QV1 NAD 0.0247 0.41232 1.78042
4 1PJS SAH 0.02198 0.40242 1.93906
5 1BC5 SAH 0.0184 0.40827 2.23048
6 3A72 AHR AHR 0.01548 0.4055 2.25352
7 1WG8 SAM 0.02749 0.40426 2.80702
8 1K4M NAD 0.03652 0.40211 2.8169
9 4A2A ATP 0.02442 0.40254 3.04709
10 1YNH SUO 0.03794 0.40217 3.04709
11 1UZH CAP 0.01959 0.41704 3.27869
12 2ZJ3 G6P 0.01801 0.40423 3.3241
13 3W9Z FMN 0.01667 0.41467 3.41615
14 2VDH CAP 0.03005 0.40025 3.57143
15 3MKN DNB 0.01764 0.40357 3.79747
16 2V63 CAP 0.02598 0.4069 3.87812
17 4LZJ 22H 0.03064 0.40057 3.9604
18 1A8R GTP 0.02558 0.40387 4.0724
19 4RGQ 1GP 0.0232 0.42716 4.15512
20 4RGQ 13P 0.02627 0.4224 4.15512
21 4RGQ NDP 0.02962 0.41344 4.15512
22 1OLM VTQ 0.03378 0.40314 4.15512
23 4R6W SAH 0.01622 0.42471 4.26357
24 4R6W PC 0.03102 0.42471 4.26357
25 4EJN 0R4 0.008508 0.42685 4.43213
26 1WUR 8DG 0.03191 0.40083 4.54545
27 3GRU AMP 0.03631 0.40464 5.08475
28 2H29 DND 0.04146 0.40196 5.29101
29 1HZP DAO 0.0495 0.40702 5.97015
30 3DCM SAM 0.01117 0.42303 6.25
31 3DJF BC3 0.03371 0.40063 6.27178
32 4XSU UDP 0.03748 0.40252 6.6482
33 4XSU GLC 0.03748 0.40252 6.6482
34 1WDD CAP 0.01809 0.4122 6.92521
35 1OQC FAD 0.03171 0.40167 7.2
36 4H4D 10E 0.01815 0.40404 8.04954
37 2GTE VA 0.02089 0.41096 8.06452
38 1RBL CAP 0.02531 0.40677 8.25688
39 1UZD CAP 0.02793 0.40211 8.95522
40 1X1R GDP 0.02976 0.40628 8.98876
41 4S1B 2BA 0.01431 0.4246 9.00901
42 1BAI 0Q4 0.03891 0.40367 10.4839
43 4RT1 C2E 0.003391 0.43965 10.7143
44 3EWC MCF 0.0238 0.40324 11.9114
45 4JWH SAH 0.02005 0.41715 14.0575
46 3CR3 ADP 0.02056 0.40952 20.6612
Pocket No.: 2; Query (leader) PDB : 2ZZV; Ligand: LAC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2zzv.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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