Structure of PDB 5fpv Chain A Binding Site BS03

Receptor Information

>5fpv Chain A (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SARIMTFYPTMEEFRNFSRYIAYIESQGAHRAGLAKVVPPKEWKPRASYD
DIDDLVIPAPIQQLVTGQSGLFTQYNIQKKAMTVREFRKIANSDKYCTPR
YSEFEELERKYWKNLTFNPPIYGADVNGTLYEKHVDEWNIGRLRTILDLV
EGVNTPYLYFGMWKTSFAWHTEDMDLYSINYLHFGEPKSWYSVPPEHGKR
LERLAKGFFPGSAQSCEAFLRHKMTLISPLMLKKYGIPFDKVTQEAGEFM
ITFPYGYHAGFNHGFNCAESTNFATRRWIEYGKQAVLCSCRKDMVKISMD
VFVRKFQPERYKLWKAGKDNTVIDHTLPTPEAAEFLK

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

5fpv Chain A Residue 1359 [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	5fpv Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Resolution	2.44 Å
Binding residue (original residue number in PDB)	C235 H241 C307 C309
Binding residue (residue number reindexed from 1)	C216 H222 C288 C290
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	G171 Y178 H189 E191 H277 S289
Catalytic site (residue number reindexed from 1)	G152 Y159 H170 E172 H258 S270
Enzyme Commision number	1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase. 1.14.11.69: [histone H3]-trimethyl-L-lysine(36) demethylase.

External links

PDB	RCSB:5fpv, PDBe:5fpv, PDBj:5fpv
PDBsum	5fpv
PubMed	27214403
UniProt	O75164\|KDM4A_HUMAN Lysine-specific demethylase 4A (Gene Name=KDM4A)

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