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Receptor Information

>6fiv Chain A (length=112) Species: 11674 (Feline immunodeficiency virus (isolate Petaluma)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GTTTTLEKRPEILIFVNGYPIKFLLDTGADITILNRRDFQVKNSIENGRQ
NMIGVGGGKRGTNYINVHLEIRDENYKTQCIFGNVCVLEDNSLIVPLLGR
DNMIKFNIRLVM

Ligand ID

3TL

InChI

InChI=1S/C50H64N6O10/c1-31(2)41(55-45(59)33(5)51-49(63)65-29-37-23-15-9-16-24-37)47(61)53-39(27-35-19-11-7-12-20-35)43(57)44(58)40(28-36-21-13-8-14-22-36)54-48(62)42(32(3)4)56-46(60)34(6)52-50(64)66-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,57-58H,27-30H2,1-6H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,60)/t33-,34-,39-,40-,41-,42-,43+,44+/m0/s1

InChIKey

BJJPNOGMLLUCER-KUTQPOQPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)O)O)NC(=O)C(C)NC(=O)OCc4ccccc4
OpenEye OEToolkits 1.7.0	C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4
CACTVS 3.370	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc4ccccc4)C(C)C
ACDLabs 12.01	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(Cc2ccccc2)C(O)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)C)C(C)C)Cc4ccccc4)C(C)C)C
CACTVS 3.370	CC(C)[CH](NC(=O)[CH](C)NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[CH](O)[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)[CH](C)NC(=O)OCc4ccccc4)C(C)C

Formula

C50 H64 N6 O10

Name

benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate;
TL-3, C2 symmetric inhibitor

PDB chain

6fiv Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6fiv Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Resolution	1.9 Å
Binding residue (original residue number in PDB)	G32 A33 D34 M56 I57 G58 V59
Binding residue (residue number reindexed from 1)	G28 A29 D30 M52 I53 G54 V55
Annotation score	1
Binding affinity	MOAD: Ki=8.3nM PDBbind-CN: -logKd/Ki=8.08,Ki=8.3nM

Enzyme Commision number

2.7.7.-
2.7.7.49: RNA-directed DNA polymerase.
3.1.-.-
3.1.13.2: exoribonuclease H.
3.1.26.13: retroviral ribonuclease H.
3.4.23.-
3.6.1.23: dUTP diphosphatase.

	Molecular Function
GO:0004190	aspartic-type endopeptidase activity

	Biological Process
GO:0006508	proteolysis

PDB	RCSB:6fiv, PDBe:6fiv, PDBj:6fiv
PDBsum	6fiv
PubMed	10651036
UniProt	P16088\|POL_FIVPE Pol polyprotein (Gene Name=pol)

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Structure of PDB 6fiv Chain A Binding Site BS01