Structure of PDB 5f4z Chain D Binding Site BS01

Receptor Information

>5f4z Chain D (length=391) Species: 167636 (Streptomyces carzinostaticus subsp. neocarzinostaticus)

MEPFRIVIPQADLDDLHRRLDATRWPSEIPGTGWSRGVPLDYLKELVGYW
RDGYDWRAAEDRLNTVPQFTTEIDGTNVHFMHIRSAEPDALPMIITHGWP
GSVAEFLDVIDPLTNPRAHGGDPADAFHLVIPSLPGFGFSGPTPEPGWNL
PRVASAWAELMRRLGYSRYAVQGGDLGAWTSLTLSGVDHEHVVGTHVNFL
ITPPSGDPADLAGLGEQDLARLQLLAEFGAEGSGYMKIQSTRPQTLSYSL
TDSPVGQLAWVVEKFMEWGDTDKSPEDAVDRDRLLTNVMIYWLTATAGSS
AHFYYEISDVLPTAPTPPPPAPPLPTPLGVAVYPADSAKPVRRFAERAFP
NIVHWAELERGGHFAALEQPGLFVSDLRAFARALRTSHHHH

Ligand information

• Ligand ID: 5V4
• InChI: InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1
• InChIKey: YKXXBEOXRPZVCC-RKDXNWHRSA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: c1ccc2c(c1)C[C@H]([C@@H]2O)O
  CACTVS 3.385: O[C@@H]1Cc2ccccc2[C@H]1O
  CACTVS 3.385: O[CH]1Cc2ccccc2[CH]1O
  OpenEye OEToolkits 2.0.4: c1ccc2c(c1)CC(C2O)O
• Formula: C9 H10 O2
• Name: (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol
• ZINC: ZINC000002037698
• PDB chain: 5f4z Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5f4z The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): D175 W179 F199 F228 Y235 M236 W268 P312 S337 H363
• Binding residue (residue number reindexed from 1): D175 W179 F199 F228 Y235 M236 W268 P312 S337 H363
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004301 epoxide hydrolase activity
• GO:0016787 hydrolase activity
• GO:0016803 ether hydrolase activity

Biological Process

• GO:0097176 epoxide metabolic process

External links

• PDB: RCSB:5f4z, PDBe:5f4z, PDBj:5f4z
• PDBsum: 5f4z
• UniProt: Q84HB1