Structure of PDB 5mhn Chain B Binding Site BS02

Receptor Information
>5mhn Chain B (length=685) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDTNKVDH
HTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKG
TYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVW
TPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFY
GEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSA
MVNAKDDEGVLVGSWDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQC
WVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLVNSKLTKDSV
WNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKH
GHVCFQFDAPFVFAEVNSDLIYITVVENVDATHIGKLIVTKQIGGDGMMD
ITDTYKFQEGQEEERLALETALMYGSNVDMDFEVENAVLGKDFKLSITFR
NNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQ
AGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQ
VVGSDMTVIVEFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQ
WEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQI
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 chain5mhn Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mhn Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		A264 N267 K269 D271
Binding residue
(residue number reindexed from 1)		A250 N253 K255 D257
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W279 C314 H373 D396 Y560
Catalytic site (residue number reindexed from 1) W265 C300 H354 D377 Y520
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5mhn, PDBe:5mhn, PDBj:5mhn
PDBsum5mhn
PubMed
UniProtP00488|F13A_HUMAN Coagulation factor XIII A chain (Gene Name=F13A1)

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