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Structure of PDB 2wzs Chain E Binding Site BS02

Receptor Information >2wzs Chain E (length=736) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] KDWTQYVNPLMGSQSTFELSTGNTYPAIARPWGMNFWTPQTGKMGDGWQY TYTANKIRGFKQTHQPSPWINDYGQFSIMPIVGQPVFDEEKRASWFAHKG EVATPYYYKVYLAEHDIVTEMTPTERAVLFRFTFPENDHSYVVVDAFDKG SYIKIIPEENKIIGYTTRNSGGVPENFKNYFIIEFDKPFTYKATVENGNL QENVAEQTTDHAGAIIGFKTRKGEQVNARIASSFISFEQAAANMNELGKD NIEQLAQKGKDAWNQVLGKIEVEGGNLDQYRTFYSCLYRSLLFPRKFYEL DANGQPIHYSPYNGQVLPGYMFTDTGFWDTFRCLFPLLNLMYPSVNKEMQ EGLINTYLESGFFPEWASPGHRGCMVGNNSASILVDAYMKGVKVDDIKTL YEGLIHGTENVHPEVSSTGRLGYEYYNKLGYVPYDVKINENAARTLEYAY DDWCIYRLAKELKRPKKEISLFAKRAMNYKNLFDKESKLMRGRNEDGTFQ SPFSPLKWGDAFTEGNSWHYTWSVFHDPQGLIDLMGGKEMFVTMMDSVFA VPPIFDDSYYGQVIHEIREMTVMNMGNYAHGNQPIQHMIYLYDYAGQPWK AQYWLRQVMDRMYTPGPDGYCGDEDNGQTSAWYVFSALGFYPVCPGTDEY VMGTPLFKKATLHFENGNSLVIDAPNNSTENFYIDSMSFNGADHTKNYLR HEDLFKGGTIKVDMSNRPNLNRGTKEEDMPYSFSKE

Ligand information Ligand ID MVL InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 InChIKey RZRDQZQPTISYKY-JWXFUTCRSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 c1cn2c(n1)C(C(C(C2CO)O)O)O OpenEye OEToolkits 1.7.6 c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O CACTVS 3.385 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 ACDLabs 12.01 n1ccn2c1C(O)C(O)C(O)C2CO CACTVS 3.385 OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12 Formula C8 H12 N2 O4 Name (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL; Mannoimidazole ChEMBL CHEMBL1213397 DrugBank ZINC ZINC000003821680 PDB chain 2wzs Chain E Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2wzs Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont. Resolution 2.25 Å Binding residue (original residue number in PDB) S86 W88 I89 W347 D348 W385 C393 M394 E533 D644 Binding residue (residue number reindexed from 1) S67 W69 I70 W328 D329 W366 C374 M375 E514 D625 Annotation score 1 Binding affinity MOAD: Ki=140uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0000224 peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine amidase activity GO:0030246 carbohydrate binding GO:0046872 metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0006516	glycoprotein catabolic process

	Cellular Component
GO:0005829	cytosol

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