Structure of PDB 2xrc Chain B Binding Site BS01

Receptor Information
>2xrc Chain B (length=485) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVEKKCLAKKYTHLSCDKVFCQPWQRCIEGTCVCKLPYQCPKNGTAVCA
TNRRSFPTYCQQKSLECLHPGTKFLNNGTCTAEGKFSVSLKHGNTDSEGI
VEVKLVDQDKTMFICKSSWSMREANVACLDLGFQQGADTQRRFKLSDLSI
NSTECLHVHCRGLETSLAECTFTKRRTMGYQDFADVVCYTFFQCVNGKYI
SQMKACDGINDCGDQSDELCCKACQGKGFHCKSGVCIPSQYQCNGEVDCI
TGEDEVGCLTADMDAERRRIKSLLPKLSCIVGGKRAQLGDLPWQVAIKDA
SGITCGGIYIGGCWILTAAHCLRASKTHRYQIWTRIVIEYVDRIIFHENY
NAGTYQNDIALIEMKCELPRSIPACVPWSPYLFQPNDTCIVSGWLQWGEV
KLISNCSKFYGNRFYEKEMECAGTYDSGGPLVCMDANNVTYVWGVVSWGE
NCGKPEFPGVYTKVANYFDWISYHVGRPFISQYNV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2xrc Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xrc Structural Basis for Complement Factor I Control and its Disease-Associated Sequence Polymorphisms.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		Y258 N261 E263 D265 D271 E272
Binding residue
(residue number reindexed from 1)		Y241 N244 E246 D248 D254 E255
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H362 D411 D506 S507 G508
Catalytic site (residue number reindexed from 1) H320 D358 D426 S427 G428
Enzyme Commision number 3.4.21.45: complement factor I.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0006956 complement activation
GO:0006958 complement activation, classical pathway
GO:0045087 innate immune response
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2xrc, PDBe:2xrc, PDBj:2xrc
PDBsum2xrc
PubMed21768352
UniProtP05156|CFAI_HUMAN Complement factor I (Gene Name=CFI)

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