Structure of PDB 6ax3 Chain A Binding Site BS01

Receptor Information

>6ax3 Chain A (length=236) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSGVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIA
GCRTVPVEVGSRYTDEEWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFD
QIPELKQDISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLV
QVMGRKYIRLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAP
FLSCILSPGEILFIPVKYWHYVRALDLSFSVSFWWS

Ligand information

Ligand ID

2MR

InChI

InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1

InChIKey

HVPFXCBJHIIJGS-LURJTMIESA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CN/C(=N/C)/NCCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCCN\C(=N/C)NC
CACTVS 3.341	CNC(NCCC[CH](N)C(O)=O)=NC
OpenEye OEToolkits 1.5.0	CNC(=NC)NCCCC(C(=O)O)N
CACTVS 3.341	CNC(NCCC[C@H](N)C(O)=O)=NC

Formula

C8 H18 N4 O2

Name

N3, N4-DIMETHYLARGININE

PDB chain

6ax3 Chain A 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	6ax3 Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Resolution	2.25 Å
Binding residue (original residue number in PDB)	E238 Q275 W310 S318 H321 D323 W414
Binding residue (residue number reindexed from 1)	E58 Q95 W130 S138 H141 D143 W234
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.11.73: [protein]-arginine 3-hydroxylase.
3.4.-.-

External links

PDB	RCSB:6ax3, PDBe:6ax3, PDBj:6ax3
PDBsum	6ax3
PubMed	29459673
UniProt	Q8N371\|KDM8_HUMAN Bifunctional peptidase and arginyl-hydroxylase JMJD5 (Gene Name=KDM8)

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