Structure of PDB 8tcm Chain B Binding Site BS01

Receptor Information

>8tcm Chain B (length=313) Species: 672471 (HIV whole-genome vector AA1305#18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HGPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKIS
KIGPENPYNTPVFAIKTKWRKLVDFRELNKRTQDFPHPAGLKKKKSVTVL
DVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAI
FQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKISELRQHL
LRWGLTTPDGYELHPDKWTGYDPSDLIAEIQKQGQGQWTYQIYQNLKTGK
YARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWT
EYWQATWIPEWEF

Ligand information

Ligand ID

TNF

InChI

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

InChIKey

OXNIZHLAWKMVMX-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.341	Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
ACDLabs 10.04	O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O

Formula

C6 H3 N3 O7

Name

PICRIC ACID;
2,4,6-TRINITROPHENOL

PDB chain

8tcm Chain B Residue 501 [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	8tcm Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and xanthene bound
Resolution	1.82 Å
Binding residue (original residue number in PDB)	Q23 P55 N57 T131 G141 R143
Binding residue (residue number reindexed from 1)	Q25 P57 N59 T122 G132 R134
Annotation score	1

External links

PDB	RCSB:8tcm, PDBe:8tcm, PDBj:8tcm
PDBsum	8tcm
PubMed
UniProt	P04585\|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol)

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