Structure of PDB 8vi8 Chain B Binding Site BS01

Receptor Information
>8vi8 Chain B (length=227) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAADKKLVVATDTAFVPFEFKQGDIYVGFDVDLWAAIAKELKLDYELKP
MDFSGIIPALQTKNVDLALAGITICDERKKAIDFSDGYYKSGLLVMVKAN
NNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELG
TNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELR
DKVNGALKTLRENGTYNEIYKKWFGTE
Ligand information
Ligand IDX5Z
InChIInChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;2*1-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;2*7-8H,1-2H3;;/q;2*-2;+6;-1/b;2*4-3-;;
InChIKeyKKXSWROVWVQWSY-GLPMUSQESA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C=Cc1cc[n+](cc1)[Co]12(\N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O
CACTVS 3.385CC1=C(C)N(O)[Co]2(N=[N+]=[N-])(N1O)(N(O)C(=C(C)N2O)C)[n+]3ccc(C=C)cc3
OpenEye OEToolkits 2.0.7CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C
FormulaC15 H23 Co N8 O4
NameAZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT
ChEMBL
DrugBank
ZINC
PDB chain8vi8 Chain B Residue 301 [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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PDB8vi8 Conformation-Dependent Hydrogen-Bonding Interactions in a Switchable Artificial Metalloprotein.
Resolution3.21 Å
Binding residue
(original residue number in PDB)		C72 D73 E74 Q183
Binding residue
(residue number reindexed from 1)		C75 D76 E77 Q186
Annotation score1
External links