Structure of PDB 4chi Chain A Binding Site BS02

Receptor Information

>4chi Chain A (length=320) Species: 330879 (Aspergillus fumigatus Af293)

ASMDKVFSGYYARQKLLERSDNPFSKGIAYVEGKLVLPSDARIPLLDEGF
MHSDLTYDVISVWDGRFFRLDDHLQRILESCDKMRLKFPLALSSVKNILA
EMVAKSGIRDAFVEVIVTRGLTGVRGSKPEDLYNNNIYLLVLPYIWVMAP
ENQLHGGEAIITRTVRRTPPGAFDPTIKNLQWGDLTKGLFEAMDRGATYP
FLTDGDTNLTEGSGFNIVLVKNGIIYTPDRGVLRGITRKSVIDVARANSI
DIRLEVVPVEQAYHSDEIFMCTTAGGIMPITLLDGQPVNDGQVGPITKKI
WDGYWEMHYNPAYSFPVDYG

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4chi Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4chi Crystallographic Characterization of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus.
• Resolution: 1.27 Å
• Binding residue (original residue number in PDB): R77 G236 I237 T238 T274
• Binding residue (residue number reindexed from 1): R76 G235 I236 T237 T273
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): Y58 K179 E212 L234
• Catalytic site (residue number reindexed from 1): Y57 K178 E211 L233
• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0046394 carboxylic acid biosynthetic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:4chi, PDBe:4chi, PDBj:4chi
• PDBsum: 4chi
• PubMed: 24699652
• UniProt: Q4WH08