Structure of PDB 1wmf Chain A Binding Site BS01

Receptor Information

>1wmf Chain A (length=434) Species: 109322 (Bacillus sp. KSM-KP43)

NDVARGIVKADVAQSSYGLYGQGQIVAVADTGLDTGRNDSSMHEAFRGKI
TALYALGRTNNANDTNGHGTHVAGSVLGNGSTNKGMAPQANLVFQSIMDS
GGGLGGLPSNLQTLFSQAYSAGARIHTNSWGAAVNGAYTTDSRNVDDYVR
KNDMTILFAAGNEGPNGGTISAPGTAKNAITVGATENLRPSFGSYADNIN
HVAQFSSRGPTKDGRIKPDVMAPGTFILSARSSLAPDSSFWANHDSKYAY
MGGTSMATPIVAGNVAQLREHFVKNRGITPKPSLLKAALIAGAADIGLGY
PNGNQGWGRVTLDKSLNVAYVNESSSLSTSQKATYSFTATAGKPLKISLV
WSDAPASTTASVTLVNDLDLVITAPNGTQYVGNDFTSPYNDNWDGRNNVE
NVFINAPQSGTYTIEVQAYNVPVGPQTFSLAIVN

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: 1wmf Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wmf The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain
• Resolution: 1.73 Å
• Binding residue (original residue number in PDB): E186 S194 D197 H201
• Binding residue (residue number reindexed from 1): E186 S194 D197 H201
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D30 H68 N162 S255
• Catalytic site (residue number reindexed from 1): D30 H68 N162 S255
• Enzyme Commision number: 3.4.21.-

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1wmf, PDBe:1wmf, PDBj:1wmf
• PDBsum: 1wmf
• PubMed: 15342641
• UniProt: Q93UV9