Structure of PDB 1s56 Chain A Binding Site BS04

Receptor Information

>1s56 Chain A (length=128) Species: 1773 (Mycobacterium tuberculosis)

GLLSRLRKREPISIYDKIGGHEAIEVVVEDFYVRVLADDQLSAFFSGTNM
SRLKGKQVEFFAAALGGPEPYTGAPMKQVHQGRGITMHHFSLVAGHLADA
LTAAGVPSETITEILGVIAPLAVDVTSG

Ligand information

• Ligand ID: XE
• InChI: InChI=1S/Xe
• InChIKey: FHNFHKCVQCLJFQ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Xe]
• Formula: Xe
• Name: XENON
• ChEMBL: CHEMBL1236802
• DrugBank: DB13453
• PDB chain: 1s56 Chain A Residue 207

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1s56 Heme-ligand tunneling in group I truncated hemoglobins
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): F32 Q58 F62 L98
• Binding residue (residue number reindexed from 1): F31 Q57 F61 L97
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005344 oxygen carrier activity
• GO:0005515 protein binding
• GO:0008379 thioredoxin peroxidase activity
• GO:0008941 nitric oxide dioxygenase NAD(P)H activity
• GO:0019825 oxygen binding
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0015671 oxygen transport
• GO:0034599 cellular response to oxidative stress
• GO:0045454 cell redox homeostasis
• GO:0046210 nitric oxide catabolic process
• GO:0051410 detoxification of nitrogen compound
• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1s56, PDBe:1s56, PDBj:1s56
• PDBsum: 1s56
• PubMed: 15016811
• UniProt: P9WN25|TRHBN_MYCTU Group 1 truncated hemoglobin GlbN (Gene Name=glbN)