Structure of PDB 7eis Chain A Binding Site BS01

Receptor Information
>7eis Chain A (length=966) Species: 585 (Proteus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSNPAFDPKNLMQSEIYHFAQNNPLADFSSDKNSILTLSDKRSIMGNQS
LLWKWKGGSSFTLHKKLIVPTDKEASKAWGRSSTPVFSFWLYNEKPIDGY
LTIDFGEKLISTSQAGFKVKLDFTGWRAVGVSLNNDLELGAKVDSIRFKA
PSNVSQGEIYIDRIMFSVDDARYQWSDYQVKTRLSEPEIQFHNVKPQLPV
TPENLAAIDLIRQRLINEFVGKETNLALEENISKLKSDFDALNIHTLANG
GTQGRHLITDKQIIIYQPENLNSQDKQLFDNYVILGNYTTLMFNISRAYV
LEKDPTQKAQLKQMYLLMTKHLLDQGFVKGSALVTTHHWGYSSRWWYIST
LLMSDALKEANLQTQVYDSLLWYSREFKSSFDMKVSADSSDLDYFNTLSR
QHLALLLLEPDDQKRINLVNTFSHYITGALTQVPPGGKDGLRPDGTAWRH
EGNYPGYSFPAFKNASQLIYLLRDTPFSVGESGWNNLKKAMVSAWIYSNP
EVGLPLAGRHPFNSPSLKSVAQGYYWLAMSAKSSPDKTLASIYLAISDKT
QNESTAIFGETITPASLPQGFYAFNGGAFGIHRWQDKMVTLKAYNTNVWS
SEIYNKDNRYGRYQSHGVAQIVSNGSQLSQGYQQEGWDWNRMQGATTIHL
PLKDLDSPKPHTLMQRGERGFSGTSSLEGQYGMMAFDLIYPANLERFDPN
FTAKKSVLAADNHLIFIGSNINSSDKNKNVETTLFQHAITPTLNTLWING
QKIENMPYQTTLQQGDWLIDSNGNGYLITQAEKVNVSRQHQVSAENKNRQ
PTEGNFSSAWIDHSTRPKDASYEYMVFLDATPEKMGEMAQKFRENNGLYQ
VLRKDKDVHIILDKLSNVTGYAFYQPASIEDKWIKKVNKPAIVMTHRQKD
TLIVSAVTPDLNMTRQKAATPVTINVTINGKWQSSEVKYQVSGDNTELTF
TSYFGIPQEIKLSPLP
Ligand information
Ligand IDGCD
InChIInChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1
InChIKeyIAKKJSVSFCTLRY-YKKSOZKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(OC(C(C1O)O)O)C(=O)O
CACTVS 3.370O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
CACTVS 3.370O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.6C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C=1OC(O)C(O)C(O)C=1
FormulaC6 H8 O6
Name4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid;
4,5-DEHYDRO-D-GLUCURONIC ACID;
4-deoxy-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid
ChEMBL
DrugBankDB02305
ZINC
PDB chain7eis Chain B Residue 2 [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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PDB7eis Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R500 H501 Y508
Binding residue
(residue number reindexed from 1)		R449 H450 Y457
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.20: chondroitin-sulfate-ABC endolyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
GO:0034000 chondroitin-sulfate-ABC endolyase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006027 glycosaminoglycan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7eis, PDBe:7eis, PDBj:7eis
PDBsum7eis
PubMed34392362
UniProtP59807|CABC1_PROVU Chondroitin sulfate ABC endolyase

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