Structure of PDB 6k4z Chain A Binding Site BS01

Receptor Information

>6k4z Chain A (length=227) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QAVVTQESALTTSPGETVTLTCRSSTGAVTTSNYVNWVQEKPDHLFTGLV
YSTNSRVPGVPARFSGSLIGDKAALTITGAQAEDEAIYFCTLWYSNHWVF
GGGTKLTVLGQVQLQQPGAELVKPGASVKLSCKTSGYTFPYYWMHWVNQR
PGRGLEWIGRIDPNGGGTRYSEKFKSKATLTVDKPSNTAYMQLSSLTSED
SAVYYCARGKLGQHFDYWGQGTALTVS

Ligand information

Ligand ID

NPA

InChI

InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)

InChIKey

QBHBHOSRLDPIHG-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O
ACDLabs 10.04	O=[N+]([O-])c1cc(ccc1O)CC(=O)O

Formula

C8 H7 N O5

Name

2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID

PDB chain

6k4z Chain A Residue 1201 [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	6k4z Three-dimensional structure of a high affinity anti-(4-hydroxy-3-nitrophenyl)acetyl antibody possessing a glycine residue at position 95 of the heavy chain.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	W91 W1033 R1050 R1058 L1097 G1099 H1100A
Binding residue (residue number reindexed from 1)	W93 W143 R160 R169 L211 G212 H214
Annotation score	1

External links

PDB	RCSB:6k4z, PDBe:6k4z, PDBj:6k4z
PDBsum	6k4z
PubMed	31521018

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