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Receptor Information

>3ank Chain A (length=377) Species: 216495 (Streptococcus agalactiae serogroup III) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKIKPVKVESIENPKRFLNSRLLTKIEVEEAIEKALKQLYINIDYFGEEY
PTPATFNNIYKVMDNTEWTNGFWTGCLWLAYEYNQDKKLKNIAHKNVLSF
LNRINNRIALDHHDLGFLYTPSCTAEYRINGDVKALEATIKAADKLMERY
LIINCLLNIQLLFFAYEQTGDEKYRQVAVNHFYASANNVVRDDSSAFHTF
YFDPETGEPLKGVTRQGYSDESSWARGQAWGIYGIPLSYRKMKDYQQIIL
FKGMTNYFLNRLPEDKVSYWDLIFTDGSGQPRDTSATATAVCGIHEMLKY
LPEVDPDKETYKYAMHTMLRSLIEQYSNNELIAGRPLLLHGVYSWHSGKG
VDEGNIWGDYYYLEALIRFYKDWELYW

Ligand ID

NG6

InChI

InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1

InChIKey

WJFVEEAIYIOATH-JAJWTYFOSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O
CACTVS 3.341	CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O
CACTVS 3.341	CC(=O)N[C@H]1[C@H](O)O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@@H]1O

Formula

C8 H15 N O9 S

Name

2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose;
N-ACETYL-D-GALACTOSAMINE 6-SULFATE;
N-acetyl-6-O-sulfo-beta-D-galactosamine;
2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactose;
2-acetamido-2-deoxy-6-O-sulfo-D-galactose;
2-acetamido-2-deoxy-6-O-sulfo-galactose

PDB chain

3ank Chain B Residue 1 [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	3ank Structural determinants in streptococcal unsaturated glucuronyl hydrolase for recognition of glycosaminoglycan sulfate groups
Resolution	2.02 Å
Binding residue (original residue number in PDB)	D115 G233 T235 Y364 S365 S368 K370
Binding residue (residue number reindexed from 1)	D114 G212 T214 Y343 S344 S347 K349
Annotation score	3

Enzyme Commision number

3.2.1.180: unsaturated chondroitin disaccharide hydrolase.

	Molecular Function
GO:0003824	catalytic activity
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0052757	chondroitin hydrolase activity
GO:0102212	unsaturated chondroitin disaccharide hydrolase activity

	Biological Process
GO:0000272	polysaccharide catabolic process
GO:0005975	carbohydrate metabolic process

PDB	RCSB:3ank, PDBe:3ank, PDBj:3ank
PDBsum	3ank
PubMed	21147778
UniProt	Q8E372\|UCDH_STRA3 Unsaturated chondroitin disaccharide hydrolase (Gene Name=gbs1889)

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Structure of PDB 3ank Chain A Binding Site BS01