Structure of PDB 1ex0 Chain A Binding Site BS01

Receptor Information
>1ex0 Chain A (length=705) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFGGRRAVPPNNSNAAEDDLPTVEQEFLNVTSVHLFKERWDTNKVDHHTD
KYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYI
PVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPY
GVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEV
NDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVN
AKDDEGVLVGSFDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVF
AGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKD
SVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAI
KHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTK
QIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTSRSNVDMDF
EVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKET
FDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQ
KSTVLTIPEIIIKVRGTQVVGSDMTVTVQFTNPLKETLRNVWVHLDGPGV
TRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELD
VQIQR
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 chain1ex0 Chain A Residue 1320 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ex0 Identification of the Calcium Binding Site and a Novel Ytterbium Site in Blood Coagulation Factor XIII by X-Ray Crystallography
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N436 S437 D438 A457
Binding residue
(residue number reindexed from 1)		N419 S420 D421 A440
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F279 C314 H373 D396 Y560
Catalytic site (residue number reindexed from 1) F262 C297 H356 D379 Y538
Enzyme Commision number 2.3.2.13: protein-glutamine gamma-glutamyltransferase.
Gene Ontology
Molecular Function
GO:0003810 protein-glutamine gamma-glutamyltransferase activity
GO:0005515 protein binding
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0007596 blood coagulation
GO:0018149 peptide cross-linking
GO:0072378 blood coagulation, fibrin clot formation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0031093 platelet alpha granule lumen
GO:0062023 collagen-containing extracellular matrix
GO:0072562 blood microparticle
GO:1990234 transferase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ex0, PDBe:1ex0, PDBj:1ex0
PDBsum1ex0
PubMed
UniProtP00488|F13A_HUMAN Coagulation factor XIII A chain (Gene Name=F13A1)

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