Receptor
PDB id Resolution Class Description Source Keywords
4QA8 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LPRF FROM MYCOBACTERIUM BOVIS MYCOBACTERIUM BOVIS LIPID TRANSFER DIACYLATED GLYCOLIPID LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL IMPLICATIONS OF LP MYCOBACTERIUM TUBERCULOSIS AND M. BOVIS ACTA CRYSTALLOGR.,SECT.D V. 70 2619 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PJZ A:301;
Valid;
none;
submit data
472.7 C30 H48 O4 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QA8 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LPRF FROM MYCOBACTERIUM BOVIS MYCOBACTERIUM BOVIS LIPID TRANSFER DIACYLATED GLYCOLIPID LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL IMPLICATIONS OF LP MYCOBACTERIUM TUBERCULOSIS AND M. BOVIS ACTA CRYSTALLOGR.,SECT.D V. 70 2619 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PJZ; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PJZ 1 1
2 TGL 0.42029 0.9
3 L2C 0.416667 0.787879
4 DGA 0.416667 0.787879
5 DDR 0.416667 0.787879
6 G2A 0.409091 0.685714
7 2JT 0.409091 0.685714
8 56S 0.40625 0.724138
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QA8; Ligand: PJZ; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 4qa8.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AOU CQA 0.0182 0.40987 2.18341
2 4H6B 10Y 0.01577 0.40892 2.5641
3 4H6B 10X 0.01617 0.40453 2.5641
4 2OG7 SIN 0.0007824 0.48404 2.62009
5 4Q0L V14 0.002925 0.41348 2.62009
6 2B9F ADP 0.008134 0.40765 2.62009
7 2WA4 069 0.005604 0.42672 3.05677
8 2QS8 MET 0.01808 0.41001 3.05677
9 4FFG 0U8 0.01689 0.40923 3.05677
10 5HVJ ANP 0.03325 0.40023 3.05677
11 4N14 WR7 0.007916 0.43756 3.49345
12 3AVR OGA 0.02864 0.40436 3.49345
13 2AGC DAO 0.004415 0.44104 3.7037
14 2CDO GAL AAL GAL AAL GAL AAL 0.01192 0.42861 3.93013
15 2WMC MGP 0.01017 0.427 3.93258
16 1WUB OTP 0.01314 0.40367 3.93258
17 3AGC RCC 0.003013 0.41449 3.98551
18 3SAO NKN 0.0006972 0.47568 4.375
19 2ET1 GLV 0.0279 0.40469 4.47761
20 3WG3 A2G GAL NAG FUC 0.01443 0.41499 4.49438
21 5BYZ 4WE 0.003967 0.41378 4.80349
22 2ARC ARA 0.02624 0.40176 4.87805
23 1JW0 GUA 0.02814 0.40428 5.24017
24 2ZHL NAG GAL GAL NAG 0.006222 0.42454 5.40541
25 3B00 16A 0.01305 0.41298 5.51471
26 1ZZ7 S0H 0.007665 0.43374 5.55556
27 3WDX BGC BGC GLC 0.0007796 0.44492 5.67686
28 3K4Z CBI 0.00538 0.43504 5.67686
29 5E89 TD2 0.007175 0.41372 5.7554
30 1GU3 BGC BGC BGC BGC BGC 0.004875 0.44394 6.04027
31 2VFT SOR 0.007608 0.42457 6.9869
32 4KYK IMN 0.01632 0.40817 7.6087
33 4CCW VKC 0.007301 0.41446 7.86026
34 3TUR DGL 0.03032 0.40289 7.86026
35 1C1L GAL BGC 0.01659 0.41103 8.75912
36 5U98 1KX 0.008453 0.41011 9.09091
37 5L2J 6UL 0.03228 0.40001 9.18367
38 5L2J 70E 0.0342 0.40001 9.18367
39 3KDM TES 0.02879 0.4006 10.6667
40 4WVW SLT 0.02 0.40368 11.8056
41 1M5B BN1 0.03055 0.41685 13.9738
42 1GY8 UDP 0.02084 0.4029 15.7205
43 2GCG DGY 0.002301 0.46961 16.1572
44 3ZGJ RMN 0.03135 0.40181 16.1572
45 5T7I LAT NAG GAL 0.0002885 0.50991 21.2903
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