Structure of PDB 5eok Chain A Binding Site BS02

Receptor Information
>5eok Chain A (length=589) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSED
PTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLD
MKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKH
TQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVM
APDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRI
KKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQK
LCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGY
TLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGS
IIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIH
DQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGW
GYDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYKGDSGGPLSC
KHNEVWHLVGITSWGEGCERPGVYTNVVEYVDWILEKTQ
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain5eok Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5eok A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R121 D125
Binding residue
(residue number reindexed from 1)		R120 D124
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H413 D462 K554 G555 D556 S557 G558
Catalytic site (residue number reindexed from 1) H412 D461 K541 G542 D543 S544 G545
Enzyme Commision number 3.4.21.27: coagulation factor XIa.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008201 heparin binding
GO:0008236 serine-type peptidase activity
GO:0070009 serine-type aminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation
GO:0030193 regulation of blood coagulation
GO:0031639 plasminogen activation
GO:0051919 positive regulation of fibrinolysis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5eok, PDBe:5eok, PDBj:5eok
PDBsum5eok
PubMed27006387
UniProtP03951|FA11_HUMAN Coagulation factor XI (Gene Name=F11)

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