Structure of PDB 1gpz Chain A Binding Site BS01

Receptor Information
>1gpz Chain A (length=368) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKCPQPKTLDEFTIIQNLQPQYQFRDYFIATCKQGYQLIEGNQVLHSFTA
VCQDDGTWHRAMPRCKIKDCGQPRNLPNGDFRYTTTMGVNTYKARIQYYC
HEPYYKMQTEQGVYTCTAQGIWKNEQKGEKIPRCLPVCGKPVNPVEQRQQ
IIGGQKAKMGNFPWQVFTNIHGRGGGALLGDRWILTAAHTLYPKEHASLD
VFLGHTNVEELMKLGNHPIRRVSVHPDYRQDESYNFEGDIALLELENSVT
LGPNLLPICLPDNDTFYDLGLMGYVSGFGIAHDLRFVRLPVANPQACENS
QNMFCAGHPSLKQDACQGDSGGVFAVRDPNTDRWVATGIVSWGIGCSRGY
GFYTKVLNYVDWIKKEME
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 chain1gpz Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gpz The Crystal Structure of the Zymogen Catalytic Domain of Complement Protease C1R Reveals that a Disruptive Mechanical Stress is Required to Trigger Activation of the C1 Complex.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T566 F567 P646 N647
Binding residue
(residue number reindexed from 1)		T265 F266 P329 N330
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H485 D540 Q634 G635 D636 S637 G638
Catalytic site (residue number reindexed from 1) H189 D239 Q317 G318 D319 S320 G321
Enzyme Commision number 3.4.21.41: complement subcomponent C1r.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1gpz, PDBe:1gpz, PDBj:1gpz
PDBsum1gpz
PubMed11823416
UniProtP00736|C1R_HUMAN Complement C1r subcomponent (Gene Name=C1R)

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