Structure of PDB 4l8w Chain G Binding Site BS03

Receptor Information

>4l8w Chain G (length=287) Species: 7955 (Danio rerio)

KTNERPIIGVLAQDVFDPKPDRNSYIAASYVKFLESAGARVVPVMINKSE
DEYSRLFKSINGVLFPGGGVSLESSGYSKAAGIFYRLALEANSNGDYFPV
WGTCLGFELLTLLTSGELLLSHTNTSGIALPLDFTEDVKGSRLFKEFPEE
LMKSLATEPLTENSHQWSITTENFTANKKLKKFYRVLSTNTDGYNKFVST
MEAYDFPIYATQWNPEKNAFEWTRPYIPHTPSAIKTTFYMANFFVNEARK
NLHSFASTEEEEKALIYNYKPEYTGIQSAFEQTYFFN

Ligand information

• Ligand ID: DGL
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
• InChIKey: WHUUTDBJXJRKMK-GSVOUGTGSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@H](C(=O)O)N
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  CACTVS 3.370: N[C@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: D-GLUTAMIC ACID
• ChEMBL: CHEMBL76232
• DrugBank: DB02517
• ZINC: ZINC000000895124
• PDB chain: 4l8w Chain G Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4l8w Structural insights into the hydrolysis and polymorphism of methotrexate polyglutamate by zebrafish gamma-glutamyl hydrolase
• Resolution: 2.39 Å
• Binding residue (original residue number in PDB): S282 F284
• Binding residue (residue number reindexed from 1): S278 F280
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): E220
• Catalytic site (residue number reindexed from 1): E216
• Enzyme Commision number: 3.4.19.9: folate gamma-glutamyl hydrolase.

Gene Ontology

Molecular Function

• GO:0008242 omega peptidase activity
• GO:0016787 hydrolase activity

External links

• PDB: RCSB:4l8w, PDBe:4l8w, PDBj:4l8w
• PDBsum: 4l8w
• PubMed: 24028568
• UniProt: Q6NY42