Structure of PDB 3cr9 Chain A Binding Site BS01

Receptor Information
>3cr9 Chain A (length=689) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APRKSVRWCTISPAEAAKCAKFQRNMKKVRGPSVSCIRKTSSFECIQAIA
ANKADAVTLDGGLVYEAGLHPYKLRPVAAEVYQTRGKPQTRYYAVAVVKK
GSGFQLNQLQGVKSCHTGLGRSAGWNIPIGTLRPYLNWTGPPEPLQKAVA
NFFSASCVPCADGKQYPNLCRLCAGTEADKCACSSQEPYFGYSGAFKCLE
NGAGDVAFVKDSTVFENLPDEAERDKYELLCPDNTRKPVDAFKECHLARV
PSHAVVARSVDGREDLIWKLLHRAQEEFGRNKSSAFQLFGSTPGEQDLLF
KDSALGFVRIPSQIDSGLYLGANYLTATQNLRETAAEVAARRERVVWCAV
GPEEERKCKQWSDVSNRKVACASASTTEECIALVLKGEADALNLDGGFIY
VAGKCGLVPVLAENQKSQNSNAPDCVHRPPEGYLAVAVVRKSDADLTWNS
LSGKKSCHTGVGRTAAWNIPMGLLFNQTGSCKFDKFFSQSCAPGADPQSS
LCALCVGNNENENKCMPNSEERYYGYTGAFRCLAEKAGDVAFVKDVTVLQ
NTDGKNSEPWAKDLKQEDFELLCLDGTRKPVAEAESCHLARAPNHAVVSQ
SDRAQHLKKVLFLQQDQFGGNGPDCPGKFCLFKSETKNLLFNDNTECLAE
LQGKTTYEQYLGSEYVTSITNLRRCSSSPLLEACAFLRA
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)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)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3cr9 Chain A Residue 692 [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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PDB3cr9 Crystal structure of the complex of Lactoferrin with 6-(Hydroxymethyl)oxane-2,3,4,5-tetrol at 3.49 A resolution
Resolution3.49 Å
Binding residue
(original residue number in PDB)		P430 E431 G432 R591 P593 K654 Y660
Binding residue
(residue number reindexed from 1)		P430 E431 G432 R591 P593 K654 Y660
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0001503 ossification
GO:0001817 regulation of cytokine production
GO:0002227 innate immune response in mucosa
GO:0002376 immune system process
GO:0006508 proteolysis
GO:0006826 iron ion transport
GO:0019731 antibacterial humoral response
GO:0019732 antifungal humoral response
GO:0031665 negative regulation of lipopolysaccharide-mediated signaling pathway
GO:0032680 regulation of tumor necrosis factor production
GO:0033690 positive regulation of osteoblast proliferation
GO:0043066 negative regulation of apoptotic process
GO:0045669 positive regulation of osteoblast differentiation
GO:0060349 bone morphogenesis
GO:1900159 positive regulation of bone mineralization involved in bone maturation
GO:1900229 negative regulation of single-species biofilm formation in or on host organism
GO:1902732 positive regulation of chondrocyte proliferation
GO:2000308 negative regulation of tumor necrosis factor (ligand) superfamily member 11 production
GO:2001205 negative regulation of osteoclast development
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005769 early endosome
GO:0005886 plasma membrane
GO:0042581 specific granule
GO:0055037 recycling endosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3cr9, PDBe:3cr9, PDBj:3cr9
PDBsum3cr9
PubMed
UniProtO77811|TRFL_HORSE Lactotransferrin (Fragment) (Gene Name=LTF)

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