Structure of PDB 6int Chain A Binding Site BS02

Receptor Information

>6int Chain A (length=413) Species: 1079050 (Paenibacillus sp. R4)

YFDHVGTVKFEGKSSTNPLAFKFYNPDEIILGKTMREHLRFGVAYLSGME
LAKARVEACFELLNILDVDYFCFHDRDIAPEGDTLQETNRNLDEIVALIK
QHMHSSGKKLLWNTANMFTNPRFVHGAATTSNADVFAYAAAQVKKALDHG
KELGAENYVFWGGREGYESLLNTDLGLELDNLARFLQLAVDYAKEIGFDA
QFLIEPKPKEPSKHQYDFDAATTLQFLQKYDLAKHFKLNLEANHATLAGH
TFEHELRVARINGALGSIDANQGDLLLGWDTDEFPTDLYASTLAMYEILQ
NEGGIGRGGVNFDAKVRRTSFEPIDVVYAHINGMDAFARGLQVAAKLIED
RAFDNVIEERYASFTKGIGADIVSGKANFHTLEAYALQNNPITNKSGRVE
LLRSILNQYIINV

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6int Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6int Crystal Structure and Functional Characterization of a Xylose Isomerase (PbXI) from the Psychrophilic Soil Microorganism, Paenibacillus sp.
• Resolution: 1.942 Å
• Binding residue (original residue number in PDB): E230 E266 D294 D338
• Binding residue (residue number reindexed from 1): E205 E241 D269 D313
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H99 D102 W137 E230 K232 E266 H269 D294 D305 D307 D338
• Catalytic site (residue number reindexed from 1): H74 D77 W112 E205 K207 E241 H244 D269 D280 D282 D313
• Enzyme Commision number: 5.3.1.5: xylose isomerase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0009045 xylose isomerase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0042732 D-xylose metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6int, PDBe:6int, PDBj:6int
• PDBsum: 6int
• PubMed: 30602271
• UniProt: A0A4V8H014