Structure of PDB 6rz2 Chain C Binding Site BS01

Receptor Information
>6rz2 Chain C (length=268) Species: 369723 (Salinispora tropica CNB-440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHNLIAFLSDVGSADEAHALCKGVMYGVAPAATIVDITHDVAPFDVREGA
LFLADVPHSFPAHTVICAYVYPETGTATHTIAVRNEKGQLLVGPNNGLLS
FALDASPAVECHEVLSPDVMNQPVTPTWYGKDIVAACAAHLAAGTDLAAV
GPRIDPKQIVRLPYASASEVEGGIRGEVVRIDRAFGNVWTNIPTHLIGSM
LQRLEVKIEALSDTVLELPFCKTFGEVDEGQPLLYLNSRGRLALGLNQSN
FIEKWPVVPGDSITVSPR
Ligand information
Ligand ID5CD
InChIInChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKeyIYSNPOMTKFZDHZ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CCl)[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCl)O)O)N
ACDLabs 10.04ClCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O
FormulaC10 H12 Cl N5 O3
Name5'-CHLORO-5'-DEOXYADENOSINE
ChEMBLCHEMBL404658
DrugBank
ZINCZINC000012958365
PDB chain6rz2 Chain B Residue 302 [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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PDB6rz2 S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		D11 F45 Y72 P73 T75 W129 G131
Binding residue
(residue number reindexed from 1)		D10 F44 Y71 P72 T74 W128 G130
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.94: adenosyl-chloride synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

View graph for
Molecular Function
External links
PDB RCSB:6rz2, PDBe:6rz2, PDBj:6rz2
PDBsum6rz2
PubMed31573135
UniProtA4X3Q0|SALL_SALTO Adenosyl-chloride synthase (Gene Name=salL)

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