Receptor
PDB id Resolution Class Description Source Keywords
1VKF 1.65 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF A GLYCEROL UPTAKE OPERON ANTITERMINATOR PROTEIN (TM1436) FROM THERMOTOGA MARITIMA MSB8 AT 1.65 A RE THERMOTOGA MARITIMA GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELATED PROTEIN STRUCGENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTESTRUCTURE INITIATIVE PSI TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELATED PROTEIN (TM1436) FROM THERMO MARITIMA AT 1.65 A RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
C:502;
D:503;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
PO4 B:401;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VKF 1.65 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF A GLYCEROL UPTAKE OPERON ANTITERMINATOR PROTEIN (TM1436) FROM THERMOTOGA MARITIMA MSB8 AT 1.65 A RE THERMOTOGA MARITIMA GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELATED PROTEIN STRUCGENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTESTRUCTURE INITIATIVE PSI TRANSCRIPTION
Ref.: CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR-RELATED PROTEIN (TM1436) FROM THERMO MARITIMA AT 1.65 A RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1VKF - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1VKF - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1VKF - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VKF; Ligand: CIT; Similar sites found: 80
This union binding pocket(no: 1) in the query (biounit: 1vkf.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.006077 0.42485 None
2 1U1F 183 0.02838 0.42104 1.59574
3 3CV7 C2U 0.03132 0.41617 2.12766
4 3CV7 NAP 0.03017 0.41617 2.12766
5 4TXJ THM 0.03948 0.40146 2.12766
6 4XP7 FNR 0.006133 0.43287 2.65957
7 2Q3R FMN 0.0007774 0.48116 3.19149
8 4Q4K FMN 0.00335 0.45681 3.19149
9 4AF0 IMP 0.006528 0.43703 3.19149
10 2WQP WQP 0.01594 0.42128 3.19149
11 2I7N ACO 0.02465 0.40736 3.19149
12 1NV8 MEQ 0.04437 0.40254 3.19149
13 4UTW RFW 0.003569 0.44144 3.7234
14 4O8A FAD 0.0105 0.43707 3.7234
15 3EXS 5RP 0.0006275 0.4226 3.7234
16 3U6W KIV 0.00328 0.41613 3.7234
17 2FB3 MET 0.01546 0.4071 3.7234
18 2FB3 5AD 0.01903 0.40477 3.7234
19 1NZY BCA 0.007009 0.43925 4.25532
20 3MI2 PFU 0.02276 0.42826 4.25532
21 1ZGD NAP 0.01795 0.41713 4.25532
22 1R27 MGD 0.04317 0.41126 4.25532
23 4OUC 5ID 0.0159 0.40654 4.25532
24 3KRB NAP 0.03097 0.4063 4.25532
25 2QCD U5P 0.008424 0.42466 4.61538
26 1M15 ARG 0.005786 0.45233 4.78723
27 1M15 ADP 0.005786 0.45233 4.78723
28 5F3I 5UJ 0.003154 0.44674 4.78723
29 3QH2 3NM 0.0004785 0.44472 4.78723
30 5LY1 PPI 0.0002872 0.4329 4.78723
31 2V6A CAP 0.01607 0.4148 4.78723
32 1F76 FMN 0.03558 0.40299 4.78723
33 2BGS NDP 0.01494 0.42727 5.31915
34 1UZD CAP 0.01901 0.41211 5.31915
35 1DQX BMP 0.005006 0.43677 5.85106
36 1LYX PGA 0.006128 0.42705 5.85106
37 2QK4 ATP 0.01665 0.40138 5.85106
38 2AMT GPP 0.01818 0.42051 6.28931
39 1PS9 FMN 0.009359 0.42913 6.38298
40 1U6R IOM 0.01088 0.40276 6.38298
41 5KZD RCJ 0.001037 0.47143 6.91489
42 3KDN CAP 0.02317 0.42799 6.91489
43 4EWN 0VR 0.000736 0.4008 6.91489
44 4A3U FMN 0.01636 0.41483 7.44681
45 4JEJ 1GP 0.0008012 0.41146 7.44681
46 1Q6O LG6 0.00137 0.46007 7.97872
47 4BVA NDP 0.02868 0.41004 7.97872
48 4BVA T3 0.03846 0.40986 7.97872
49 1AFS NAP 0.02793 0.40643 7.97872
50 2F5Z FAD 0.0308 0.4248 8.01688
51 3B9O FMN 0.002262 0.45631 9.04255
52 1DMR PGD 0.03832 0.43235 9.04255
53 4N02 FNR 0.03721 0.40122 9.04255
54 3TAO PGH 0.002676 0.44145 9.3633
55 4IGH FMN 0.0177 0.44947 9.57447
56 4IGH ORO 0.0177 0.44947 9.57447
57 4IGH 1EA 0.0177 0.44947 9.57447
58 2F6U CIT 0.001611 0.42274 9.57447
59 4BCM T7Z 0.01318 0.4007 9.57447
60 3MJY FMN 0.0114 0.43545 10.1064
61 3MJY IJZ 0.0114 0.43545 10.1064
62 1RBL CAP 0.01943 0.41352 10.1064
63 5A6N U7E 0.02132 0.40185 10.1064
64 2RDT 2RD 0.02673 0.41087 10.5943
65 2RDT FMN 0.02871 0.40673 10.5943
66 1ICP FMN 0.002956 0.46314 10.6383
67 1SR9 KIV 0.004006 0.42118 10.6383
68 3D91 REM 0.0473 0.42029 10.6383
69 1WDD CAP 0.01625 0.41461 11.1702
70 3O9L LPN 0.04865 0.40847 12.0482
71 4YJK URA 0.004058 0.42386 12.234
72 3KRU FMN 0.007103 0.4427 13.2979
73 1JCM 137 0.009409 0.42007 14.3617
74 4ORM 2V6 0.01659 0.45007 15.9574
75 4ORM FMN 0.01659 0.45007 15.9574
76 4ORM ORO 0.01659 0.45007 15.9574
77 2RCU BUJ 0.03553 0.42407 15.9574
78 4I9A NCN 0.0001826 0.41411 15.9722
79 2GOU FMN 0.007571 0.44982 21.2766
80 3A4X NAG NAG NAG NDG 0.01813 0.41745 22.8723
Pocket No.: 2; Query (leader) PDB : 1VKF; Ligand: CIT; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 1vkf.bio4) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MTX PGT 0.03358 0.407 1.3245
2 3KVY URA 0.004129 0.42098 2.12766
3 2OEM 1AE 0.01035 0.4099 2.12766
4 3O0G 3O0 0.01423 0.40448 2.65957
5 4WCX MET 0.002185 0.42963 3.19149
6 4NAE 1GP 0.002149 0.4212 3.19149
7 2FB3 GTP 0.02474 0.41713 3.7234
8 4UTU LRY 0.0002499 0.40339 3.7234
9 5G3N X28 0.02608 0.40601 3.93701
10 3BJE URA 0.004706 0.40516 4.25532
11 3NW7 LGV 0.03421 0.41088 4.88599
12 3FMI KAP 0.009657 0.42901 5.17928
13 3AQV TAK 0.003492 0.433 5.31915
14 2X4Z X4Z 0.01334 0.42857 5.85106
15 1PIG AGL GLC HMC AGL GLC BGC 0.04337 0.41206 5.85106
16 4UUG PXG 0.02835 0.40025 6.38298
17 1REQ DCA 0.04372 0.41131 6.91489
18 4I42 1HA 0.0279 0.40462 6.91489
19 1LQA NDP 0.03792 0.40374 6.91489
20 4L3L 5FI 0.02277 0.40696 7.44681
21 1KBJ FMN 0.01741 0.41267 7.97872
22 5HES 032 0.01282 0.41241 8.51064
23 1TB3 FMN 0.04269 0.40134 8.51064
24 1Q6D GLC GLC 0.03608 0.4127 9.04255
25 4M69 ANP 0.01709 0.40623 9.04255
26 1WG8 SAM 0.02827 0.41144 9.57447
27 2A9K NAD 0.02271 0.40567 9.57447
28 4PIV 2W4 0.02093 0.40222 9.57447
29 1GZF NAD 0.03583 0.40077 9.57447
30 2BKK ADP 0.02101 0.40048 11.8343
31 3VOT ADP 0.01386 0.40221 13.2979
32 2C42 PYR 0.03697 0.40285 14.3617
33 3HF3 FMN 0.01497 0.41503 15.9574
34 2D1S SLU 0.01191 0.43452 16.4894
35 3GZ8 APR 0.02025 0.40045 16.6667
36 4UAL 3FV 0.01778 0.4 25
Pocket No.: 3; Query (leader) PDB : 1VKF; Ligand: CIT; Similar sites found: 41
This union binding pocket(no: 3) in the query (biounit: 1vkf.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C4I BTN 0.009748 0.42029 1.59574
2 4G17 0VN 0.01564 0.40621 1.59574
3 3LGS ADE 0.007767 0.40971 2.12766
4 4OR7 NAP 0.02349 0.41631 2.42424
5 1H70 CIR 0.01492 0.40047 2.65957
6 4IF4 BEF 0.001705 0.44954 3.19149
7 4CNG SAH 0.02019 0.41799 3.19149
8 1LDN NAD 0.02974 0.41376 3.19149
9 3DLS ADP 0.01483 0.40757 3.19149
10 1FDJ 2FP 0.01674 0.40368 3.19149
11 3E7O 35F 0.04286 0.40289 3.19149
12 1T90 NAD 0.02693 0.41415 3.7234
13 5T96 79J 0.01642 0.40087 3.7234
14 1F74 NAY 0.0001194 0.43378 4.25532
15 5UKL SIX 0.01426 0.42555 4.25532
16 3UWV 2PG 0.01083 0.42361 4.25532
17 5MX4 HPA 0.005101 0.41689 4.25532
18 4OAG ADP 0.01485 0.40766 4.25532
19 2W9S NDP 0.0218 0.41666 4.34783
20 4Z1D PEP 0.004227 0.42293 4.71014
21 1VRP ADP 0.007586 0.42313 4.78723
22 3HZT J60 0.00341 0.40385 5.31915
23 1PNO NAP 0.04329 0.40172 5.55556
24 4L8V NAP 0.03842 0.40448 5.85106
25 1GXS DKA 0.01076 0.40401 5.85106
26 3JQ3 ADP 0.003843 0.40221 5.85106
27 5KJW 53C 0.009541 0.40142 5.85106
28 4M7V NAP 0.03925 0.40729 6.85714
29 5F7J ADE 0.01175 0.40149 6.91489
30 5LXC 7AA 0.01759 0.40351 7.44681
31 3FYP PEP 0.008248 0.40818 7.97872
32 5E72 SAM 0.02756 0.40616 7.97872
33 5AHO TLA 0.01676 0.40595 8.51064
34 1WHT BZS 0.01074 0.40366 8.51064
35 4PIV NDP 0.04693 0.40195 9.57447
36 4XH0 ADP 0.007902 0.40844 10.1064
37 3BC9 ACR 0.01153 0.40522 10.6383
38 2WJH FLC 0.01852 0.40298 12.0482
39 4MCC 21X 0.03277 0.40599 12.766
40 3FGZ BEF 0.008519 0.40336 14.8438
41 2VN9 GVD 0.008055 0.40192 19.1489
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