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Receptor Information

>3kcg Chain I (length=419) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SPVDICTAKPRDIPMNPMCIYRSPEQKIPEATNRRVWELSKANSRFATTF
YQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTIS
EKTSDQIHFFFAKLNCRLYRKANKASKLVSANRLFGDKSLTFNETYQDIS
ELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTV
LVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRR
VAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELE
EMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDL
YVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFI
REVPLNTIIFMGRVANPCV

Ligand ID

GU6

InChI

InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4+,5-,6+/m1/s1

InChIKey

GRHWGVDHRAZFMQ-DVKNGEFBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O
CACTVS 3.385	O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O
ACDLabs 12.01	C1(C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS(O)(=O)=O)O
CACTVS 3.385	O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O

Formula

C6 H12 O15 S3

Name

2,3,6-tri-O-sulfo-alpha-D-glucopyranose;
2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE;
2,3,6-tri-O-sulfo-alpha-D-glucose;
2,3,6-tri-O-sulfo-D-glucose;
2,3,6-tri-O-sulfo-glucose

PDB chain

3kcg Chain D Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3kcg Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	K11 P12 R13 K114 F122
Binding residue (residue number reindexed from 1)	K9 P10 R11 K102 F110
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0002020	protease binding
GO:0004867	serine-type endopeptidase inhibitor activity
GO:0005515	protein binding
GO:0008201	heparin binding
GO:0042802	identical protein binding

	Biological Process
GO:0007596	blood coagulation
GO:0010466	negative regulation of peptidase activity
GO:0030193	regulation of blood coagulation

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005788	endoplasmic reticulum lumen
GO:0005886	plasma membrane
GO:0062023	collagen-containing extracellular matrix
GO:0070062	extracellular exosome
GO:0072562	blood microparticle

PDB	RCSB:3kcg, PDBe:3kcg, PDBj:3kcg
PDBsum	3kcg
PubMed	20080729
UniProt	P01008\|ANT3_HUMAN Antithrombin-III (Gene Name=SERPINC1)

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Structure of PDB 3kcg Chain I Binding Site BS03