Structure of PDB 5c6s Chain A Binding Site BS01

Receptor Information

>5c6s Chain A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EDSPLDALDLVWAKCRGYPSYPALIIDPKMPREGMFHHGVPIPVPPLEVL
KLGEQMTQEAREHLYLVLFFDNKRTWQWLPRTKLVPLGVNQDLDKEKMLE
GRKSNIRKSVQIAYHRALQHRSKVQG

Ligand information

InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)

KVMMIDQDXZOPAB-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2cnc(cc2c1)C(=O)O
ACDLabs 12.01	c2c1c(cc(C(O)=O)nc1)ccc2
CACTVS 3.385	OC(=O)c1cc2ccccc2cn1

Formula

C10 H7 N O2

Name

isoquinoline-3-carboxylic acid

ZINC000000158608

PDB chain

5c6s Chain A Residue 1301 [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	5c6s Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
Resolution	1.3 Å
Binding residue (original residue number in PDB)	Y1096 Y1099 F1147 D1149
Binding residue (residue number reindexed from 1)	Y18 Y21 F69 D71
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5c6s, PDBe:5c6s, PDBj:5c6s
PDBsum	5c6s
PubMed
UniProt	P55201\|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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