Structure of PDB 6hbe Chain B Binding Site BS04

Receptor Information

>6hbe Chain B (length=425) Species: 743525 (Thermus scotoductus SA-01)

AERHFTLEARSSIFEVDQGVYLRGFSFNDMSPGPMLVVEEGDTVHITLRN
LDNVTHGLSIHAANTQTSRFLGNVQPGETREFSFTADFPGVFMYHCAPGG
HGIMAHTMGGQFGMIVVEPKEKYRMERELGRGPDLKLYIIQSEAYASGRD
FYDGKALYVMFNGRNFRYVDEPIPVRPGDYLRIYFLNVGPNLTSTLHVVG
GIFEYMYYQGNPKNLVVGAQTALAGPSDSWVIEWRVPPVEGDYTLVTHVF
GTAIKGALGILRAKKDAPRIPEVRAEGVPGVKEIPASAKRVVDPYGLASP
GHEHTVRVPLDPALAQPVAVGAKALEPLPVTVQMVGNSFYPKVLEIPVGT
TVEFVNEDVFDLLEGERTGRHDAVVIDVQGPEPFVTPKLGHGERYRITFT
KPGEYVYICSIHPYMKGIIRVYEPL

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: 6hbe Chain B Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hbe A three-domain copper-nitrite reductase with a unique sensing loop.
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): D36 Q37
• Binding residue (residue number reindexed from 1): D17 Q18
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H75 S78 H80 H114 C115 H125 Q130 H216 Q239 T240 H267
• Catalytic site (residue number reindexed from 1): H56 S59 H61 H95 C96 H106 Q111 H197 Q220 T221 H248
• Enzyme Commision number: 1.7.2.1: nitrite reductase (NO-forming).

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0009055 electron transfer activity
• GO:0046872 metal ion binding
• GO:0050421 nitrite reductase (NO-forming) activity

External links

• PDB: RCSB:6hbe, PDBe:6hbe, PDBj:6hbe
• PDBsum: 6hbe
• PubMed: 30867922
• UniProt: E8PLV7