Structure of PDB 1re4 Chain E Binding Site BS01

Receptor Information
>1re4 Chain E (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVLRSILENLRSKIQKLESDVSAQMEYCRTPCTVSCNIPVVSGKECEEII
RKGGETSEMYLIQPDSSVKPYRVYCDMNTENGGWTVIQNRQDGSVDFGRK
WDPYKQGFGNVATNTDGKNYCGLPGEYWLGNDKISQLTRMGPTELLIEME
DWKGDKVKAHYGGFTVQNEANKYQISVNKYRGTAGNALMDGASQLMGENR
TMTIHNGMFFSTYDRDNDGWLTSDPRKQCSKEAGGGWWYNRCHAANPNGR
YYWGGQYTWDMAKHGTDDGVVWMNWKGSWYSMRKMSMKIRPFFP
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 chain1re4 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1re4 BbetaGlu397 and BbetaAsp398 but not BbetaAsp432 are required for "B:b" interactions.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D381 D383 W385
Binding residue
(residue number reindexed from 1)		D216 D218 W220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
Biological Process
GO:0007596 blood coagulation
GO:0030168 platelet activation
GO:0051258 protein polymerization
Cellular Component
GO:0005577 fibrinogen complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1re4, PDBe:1re4, PDBj:1re4
PDBsum1re4
PubMed14992584
UniProtP02675|FIBB_HUMAN Fibrinogen beta chain (Gene Name=FGB)

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