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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 209 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 175 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 149 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 TLA 0.5 0.611111
8 SRT 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 23B 0.428571 0.631579
13 QFH 0.428571 0.631579
14 WTZ 0.428571 0.631579
15 RAT 0.421053 0.611111
16 LGT 0.421053 0.611111
17 GAE 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 with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2zzv.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3EKK GS2 1.62866
2 4GBD MCF 1.66205
3 1B9I PXG 1.66205
4 3QV1 NAD 1.78042
5 3EYA TDP 1.93906
6 1PJS SAH 1.93906
7 3C56 PH4 1.9544
8 1BC5 SAH 2.23048
9 3A72 AHR AHR 2.25352
10 4L50 D8X 2.25564
11 4MOP 2H5 2.49307
12 4Z87 5GP 2.49307
13 5YB7 ORN 2.49307
14 1WG8 SAM 2.80702
15 1K4M NAD 2.8169
16 1PVN MZP 3.04709
17 4A2A ATP 3.04709
18 1YNH SUO 3.04709
19 4FE2 AIR 3.13725
20 4H6Q TFB 3.20513
21 4H6Q FAD 3.20513
22 1UZH CAP 3.27869
23 5LY1 PPI 3.3241
24 2ZJ3 G6P 3.3241
25 3W9Z FMN 3.41615
26 2V6A CAP 3.57143
27 2V67 CAP 3.57143
28 2VDH CAP 3.57143
29 5Y0Q APC 3.60111
30 2V68 CAP 3.60111
31 2ZBA COA 3.60111
32 2QTR NXX 3.7037
33 3MKN DNB 3.79747
34 2MAS PIR 3.82166
35 2V63 CAP 3.87812
36 4LZJ 22H 3.9604
37 4GNC ASO 4.01338
38 4W6Z 8ID 4.03458
39 1A8R GTP 4.0724
40 4RGQ 1GP 4.15512
41 4RGQ NDP 4.15512
42 4RGQ 13P 4.15512
43 2X5W K2B 4.15512
44 1OLM VTQ 4.15512
45 3M3E GAL A2G NPO 4.34783
46 4EJN 0R4 4.43213
47 1WUR 8DG 4.54545
48 3GRU AMP 5.08475
49 4IYO NAK 5.26316
50 1IR2 CAP 5.71429
51 1HZP DAO 5.97015
52 4GLJ RHB 6.06061
53 3DCM SAM 6.25
54 3DJF BC3 6.27178
55 4XSU UDP 6.6482
56 4XSU GLC 6.6482
57 1WDD CAP 6.92521
58 1OQC FAD 7.2
59 5Y4R C2E 7.58621
60 4H4D 10E 8.04954
61 2GTE VA 8.06452
62 1RBL CAP 8.25688
63 2Q0L FAD 8.68167
64 1UZD CAP 8.95522
65 1X1R GDP 8.98876
66 4S1B 2BA 9.00901
67 4B0T ADP 9.14127
68 1UI0 URA 10.2439
69 1BAI 0Q4 10.4839
70 4RT1 C2E 10.7143
71 3EWC MCF 11.9114
72 1RZ0 FAD 12.4224
73 4JWH SAH 14.0575
74 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 14.2857
75 3EWP APR 17.5141
76 5AHW CMP 17.6871
77 3CR3 ADP 20.6612
78 5KJZ PCG 34.6667
Pocket No.: 2; Query (leader) PDB : 2ZZV; Ligand: LAC; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 2zzv.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3WGT QSC 2.01729
2 5KBF CMP 2.65781
3 5KF6 FAD 2.77008
4 5U19 SAH 2.93255
5 5U19 827 2.93255
6 4JJF FE9 3.19767
7 4MZU COA 3.20513
8 2OYS FMN 3.30579
9 2G37 FAD 3.36391
10 4ZU3 4SD 3.52423
11 4OIV XX9 4.42478
12 1P1M MET 4.43213
13 5K8S CMP 5.40541
14 3CH6 NAP 5.59441
15 3CH6 311 5.59441
16 4UXL 5P8 5.90062
17 5N9Z CAP 6.09418
18 3E5P PPI 6.09418
19 2NXW TPP 6.37119
20 3PNA CMP 7.79221
21 2PHN GDP 8.26772
22 1NV8 MEQ 10.5634
23 1RZ1 FAD 12.4224
24 2E5Y ATP 14.2857
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