Structure of PDB 6en3 Chain A Binding Site BS02

Receptor Information

>6en3 Chain A (length=934) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PSIDSLHYLSENSKKEFKEELSKAGQESQKVKEILAKAQQADKQAQELAK
MKIPEKIPMKPLHGPLYGGYFRTWHDKTSDPTEKDKVNSMGELPKEVDLA
FIFHDWTKDYSLFWKELATKHVPKLNKQGTRVIRTIPWRFLAGGDNSGIA
EDTSKYPNTPEGNKALAKAIVDEYVYKYNLDGLDVAVLHDSIPKVDKKED
TAGVERSIQVFEEIGKLIGPKGVDKSRLFIMDSTYMADKNPLIERGAPYI
NLLLVQVYGSQGEKGGWEPVSNRPEKTMEERWQGYSKYIRPEQYMIGFSF
YEENAQEGNLWYDINSRKDEDKANGINTDITGTRAERYARWQPKTGGVKG
GIFSYAIDRDGVAHQPKKYAKQKEFKDATDNIFHSDYSVSKALKTVMLKD
KSYDLIDEKDFPDKALREAVMAQVGTRKGDLERFNGTLRLDNPAIQSLEG
LNKFKKLAQLDLIGLSRITKLDRSVLPANMKPGKDTLETVLETYEPATIP
PVSLKVSGLTGLKELDLSGFDRETLAGLDAATLTSLEKVDISGNKLDLAP
GTENRQIFDTMLSTISNHVGSNEQTVKFDKQKPTGHYPDTYGKTSLRLPV
ANEKVDLQSQLLFGTVTNQGTLINSEADYKAYQNHKIAGRSFVDSNYHYN
NFKVSYENYTVKVTDSTLGTTTDKTLATDKEETYKVDFFSPADKTKAVHT
AKVIVGDEKTMMVNLAEGATVIGGSADPVNARKVFDGQLGSETDNISLGW
DSKQSIIFKLKEDGLIKHWRFFNDSARNPETTNKPIQEASLQIFNIKDYN
LDNLLENPNKFDDEKYWITVDTYSAQGERATAFSNTLNNITSKYWRVVFD
TKGDRYSSPVVPELQILGYPLPNADTIMKTVTTAKELSQQKDKFSQKMLD
ELKIKEMALETSLNSKIFDVTAINANAGVLKDCI

Ligand information

Ligand ID

MAN

InChI

InChI=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

InChIKey

WQZGKKKJIJFFOK-PQMKYFCFSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose

PDB chain

6en3 Chain B 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	6en3 Structural basis for the recognition of complex-type N-glycans by Endoglycosidase S.
Resolution	2.903 Å
Binding residue (original residue number in PDB)	R119 E349 E350 A352 N356
Binding residue (residue number reindexed from 1)	R72 E302 E303 A305 N309
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.3.1.-
3.4.22.-
6.3.2.-

External links

PDB	RCSB:6en3, PDBe:6en3, PDBj:6en3
PDBsum	6en3
PubMed	29760474
UniProt	Q9KS12\|MARTX_VIBCH Multifunctional-autoprocessing repeats-in-toxin (Gene Name=rtxA)

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