Receptor
PDB id Resolution Class Description Source Keywords
1UU1 2.38 Å EC: 2.6.1.9 COMPLEX OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE (HISC) FROM THERMOTOGA MARITIMA (APO-FORM) THERMOTOGA MARITIMA HISTIDINE BIOSYNTHESIS TRANSFERASE AMINOTRANSFERASE PYRIDOXAL PHOSPHATE COMPLETE PROTEOME
Ref.: STRUCTURAL STUDIES OF THE CATALYTIC REACTION PATHWAY OF A HYPERTHERMOPHILIC HISTIDINOL-PHOSPHATE AMINOTRANSFERASE J.BIOL.CHEM. V. 279 21478 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMP HSA A:1335;
B:1335;
C:1335;
D:1335;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
446.249 n/a [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UU1 2.38 Å EC: 2.6.1.9 COMPLEX OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE (HISC) FROM THERMOTOGA MARITIMA (APO-FORM) THERMOTOGA MARITIMA HISTIDINE BIOSYNTHESIS TRANSFERASE AMINOTRANSFERASE PYRIDOXAL PHOSPHATE COMPLETE PROTEOME
Ref.: STRUCTURAL STUDIES OF THE CATALYTIC REACTION PATHWAY OF A HYPERTHERMOPHILIC HISTIDINOL-PHOSPHATE AMINOTRANSFERASE J.BIOL.CHEM. V. 279 21478 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UU1 - PMP HSA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UU1 - PMP HSA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UU1 - PMP HSA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP HSA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP HSA 1 1
2 PLP HSA 0.46875 0.966667
3 PLP PMP 0.425287 0.796875
4 GLY PLP 0.425287 0.75
5 PLP 2TL 0.417582 0.765625
6 PLP SER 0.41573 0.75
7 PLP 2KZ 0.413043 0.746269
8 ASP PLP 0.408602 0.777778
9 PLP 0A0 0.408602 0.731343
10 PLP ALO 0.402174 0.746269
11 SER PLP 0.402174 0.78125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UU1; Ligand: PMP HSA; Similar sites found: 82
This union binding pocket(no: 1) in the query (biounit: 1uu1.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Y9T PA1 0.01815 0.41371 1.7341
2 1ELU PDA 0.0009557 0.42666 1.79487
3 1ELU CSS 0.002079 0.41939 1.79487
4 2TPL HPP 0.0002182 0.46803 2.08955
5 4IY7 KOU 0.000749 0.44186 2.08955
6 4IY7 0JO 0.0008013 0.44061 2.08955
7 4IYO 0JO 0.0008252 0.43323 2.08955
8 2FNU PMP UD1 0.004377 0.42552 2.08955
9 1E5F PLP 0.0003718 0.43545 2.38806
10 1MDZ DCS 0.003954 0.42397 2.38806
11 1MDZ PLP 0.003705 0.42397 2.38806
12 5W70 9YM 0.001199 0.42559 2.68657
13 2FYF PLP 0.0002971 0.41208 2.68657
14 4AZJ SEP PLP 0.00167 0.42336 3.28358
15 3DR4 G4M 0.01494 0.40375 3.28358
16 2PO3 T4K 0.003025 0.43031 3.58209
17 1FC4 AKB PLP 0.0003753 0.44033 4.1791
18 5XVK 8GC 0.02565 0.4039 4.22535
19 4JOB TLA 0.009627 0.43956 4.47761
20 1AUA BOG 0.01776 0.41159 4.47761
21 5GVL GI8 0.001089 0.45587 4.77612
22 5GVL PLG 0.001089 0.45587 4.77612
23 1DFO PLG 0.001289 0.42425 4.79616
24 3ZRR PXG 0.001081 0.4279 5.07463
25 1CL2 PPG 0.001826 0.41826 5.37313
26 1JS3 PLP 142 0.003081 0.40505 5.67164
27 5W71 9YM 0.008568 0.41659 6.56716
28 5W71 PLP 0.002135 0.40798 6.56716
29 5U23 TQP 0.005704 0.4145 6.86567
30 3FRK TQP 0.007674 0.40887 6.86567
31 4LNL 2BO 0.0004776 0.42611 6.90691
32 4LNL PLG 0.0003574 0.42586 6.90691
33 2X5F PLP 0.0000001596 0.53357 7.16418
34 3B8X G4M 0.01413 0.40069 7.46269
35 2OGA PGU 0.004452 0.40559 8.35821
36 2HOX P1T 0.00000001854 0.61143 9.55224
37 5DJ3 5DK 0.00007674 0.46849 9.84043
38 5XVQ 8GC 0.01987 0.40953 9.85915
39 5HWC FK5 0.02281 0.40178 10.4348
40 5K8B PDG 0.005702 0.40283 10.4478
41 5IWQ PLP 0.0000001748 0.63754 11.0448
42 3BWN PMP PHE 0.00000002238 0.62647 11.0448
43 3BWN PMP 0.00000001051 0.57715 11.0448
44 1C7O PPG 0.000002967 0.53192 11.9403
45 5X30 7XF 0.0000767 0.48902 12.5373
46 5X2Z 3LM 0.0002029 0.46938 12.5373
47 5X30 4LM 0.0003759 0.46368 12.5373
48 1LW4 TLP 0.0005492 0.43591 13.1343
49 1LW4 PLP 0.0007402 0.42206 13.1343
50 2WK9 PLG 0.0009124 0.45063 13.7313
51 2WK9 PLP 0.0009605 0.44683 13.7313
52 3B1E P1T 0.00001153 0.48439 14.3284
53 2R2N PMP 0.000000005124 0.71039 14.6269
54 2R2N KYN 0.00000002325 0.53746 14.6269
55 4JE5 PMP 0.00000004245 0.67715 16.4179
56 4JE5 PLP 0.00000004423 0.67628 16.4179
57 3WGC PLG 0.0001731 0.44616 18.209
58 3EI9 PL6 0.00000001304 0.61047 19.7015
59 2XBN PMP 0.002246 0.42488 19.7015
60 4FL0 PLP 0.00000008086 0.55303 20
61 1AJS PLA 0.000001445 0.55614 20.2985
62 1M7Y PPG 0.0000007807 0.58094 20.8955
63 2AY3 MPP 0.0001483 0.43821 22.0896
64 2ZYJ PGU 0.000000003037 0.67771 22.6866
65 1DJ9 KAM 0.0001994 0.48105 22.9851
66 4RKC PMP 0.000000336 0.61523 23.2836
67 3E2Y PMP 0.0000001077 0.54484 24.1791
68 2R5E QLP 0.0000003087 0.57129 25.0746
69 2R5C C6P 0.0000003203 0.57071 25.0746
70 1TOI HCI 0.001169 0.47256 25.0746
71 2ZC0 PMP 0.000000007001 0.61654 25.3731
72 1GDE GLU PLP 0.00000008094 0.58675 27.7612
73 3PDB PMP 0.0000001192 0.54486 27.7612
74 3PD6 PMP 0.0000002331 0.52806 27.7612
75 1U08 PLP 0.00000003211 0.55355 28.6567
76 4M2K PLP 0.00000005427 0.52753 30.4478
77 1LC8 33P 0.0000000008209 0.70204 31.0448
78 2X5D PLP 0.000000007886 0.52874 31.6418
79 1XI9 PLP 0.0000008622 0.49855 31.6418
80 1GCK ASP PLP 0.000001239 0.56018 37.6119
81 4R5Z PMP 0.0000000000472 0.7202 48.3582
82 4R5Z SIN 0.0000002664 0.61992 48.3582
Pocket No.: 2; Query (leader) PDB : 1UU1; Ligand: PMP HSA; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1uu1.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZM4 PLP 0.01128 0.40668 2.38806
2 5CDH TLA 0.03339 0.40506 3.57143
3 4XOE KGM 0.01614 0.41564 3.94265
4 4ZO3 C6L 0.01047 0.41204 5.10204
5 1OXO IK2 0.000004691 0.41238 27.4627
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