Structure of PDB 4lmh Chain B Binding Site BS11

Receptor Information

>4lmh Chain B (length=694) Species: 211586 (Shewanella oneidensis MR-1)

VGVNINSTSTLKAKFTNATVDAGKVTVNFTLENANGVAVLGLTKDHDLRF
GIAQLTPVKEKVGETEADRGYQWQAYINAKKEPGTVPSGVDNLNPSTQFQ
ANVESANKCDTCLVDHGDGSYSYTYQVNVANVTEPVKVTYSADATQRATM
ELELPQLAANAHFDWQPSTGKTEGIQTRNVVSIQACYTCHQPESLALHGG
RRIDIENCASCHTATSGDPESGNSIEFTYMIHAIHKGGERHTFDATGAQV
PAPYKIIGYGGKVIDYGKVHYPQKPAADCAACHVEGAGAPANADLFKADL
SNQACIGCHTEKPSAHHSSTDCMACHNATKPYGGTGSAAKRHGDVMKAYN
DSLGYKAKFSNIGIKNNALTFDVQILDNKDQPIGKEFISDPSAYTKSSIY
FSWGIDKDYPAYTAGSRYSDRGFALSNSKVSTYNEATKTFTIDSTNSNLK
LPADLTGMNVELYAGVATCFNKGGYGVEDVVATPCSTDTRYAYIQDQPFR
FKWNGTDTNSAAEKRRAIIDTAKCSGCHNKEIVHYDNGVNCQACHTPDKG
LKTDNTYPGTKVPTSFAWKAHESEGHYLKYAGVQSGTVLKTDCATCHTAD
KSNVVTGIALGRSPERAWLYGDIKNNGAVIWVSSDAGACLSCHQKYLSDA
AKSHIETNGGILNGTSAADVQTRASESCATCHTPSQLMEAHGNK

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: 4lmh Chain B Residue 912

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lmh Insights into electron transfer at the microbe-mineral interface: the X-ray crystal structures of Shewanella oneidensis MtrC and OmcA
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): D260 E262 I299
• Binding residue (residue number reindexed from 1): D218 E220 I257
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Biological Process

• GO:0071281 cellular response to iron ion

External links

• PDB: RCSB:4lmh, PDBe:4lmh, PDBj:4lmh
• PDBsum: 4lmh
• UniProt: Q8EG33