Structure of PDB 5c3m Chain A Binding Site BS01

Receptor Information

>5c3m Chain A (length=410) Species: 1422 (Geobacillus stearothermophilus)

LKMATIGGGSSYTPELVEGLIKRYHELPVGELWLVDIPEGKEKLEIVGAL
AKRMVEKAGVPIEIHLTLDRRRALEGADFVTTQFRVGGLEARAKDERIPL
KYGVIGQETNGPGGLFKGLRTIPVILDIIRDMEELCPDAWLINFTNPAGM
VTEAVLRYTKQEKVVGLCNVPIGMRMGVAKLLGVDADRVHIDFAGLNHMV
FGLHVYLDGVEVTEKVIDLVAHPLGWEPDFLKGLKVLPCPYHRYYYQTDK
MLAEELEAAKTKGTRAEVVQQLEKELFELYKDPGGAYYSDAACSLISSIY
NDKRDIQPVNTRNNGAIASIPPESAVEVNCVITKDGPKPIAVGDLPVAVR
GLVQQIKSFERVAAEAAVTGDYQTALVAMTINPLVPSDTIAKQMLDEMLE
AHKEHLPQFF

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5c3m Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5c3m Crystal structure of Gan4C, a GH4 6-phospho-glucosidase from Geobacillus stearothermophilus
• Resolution: 3.059 Å
• Binding residue (original residue number in PDB): N150 C172 N201 H202 Y316
• Binding residue (residue number reindexed from 1): N146 C168 N197 H198 Y288
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.86: 6-phospho-beta-glucosidase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0008706 6-phospho-beta-glucosidase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5c3m, PDBe:5c3m, PDBj:5c3m
• PDBsum: 5c3m
• UniProt: W8R9V4