Structure of PDB 4r33 Chain B Binding Site BS01

Receptor Information
>4r33 Chain B (length=384) Species: 1885 (Streptomyces actuosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHAMTGDFVLPELEDVRAEAATVDTRAVLALAEGEEPAESRAAVALALWE
DRSIGTAELQAAAEARCGARRPRLHTFVPLYTTNYCDSECKMCSMRKGNH
RLDRKFSGRKEITEQLEILYHHEGVRGVGFLTGEYEDKHTRLASAFRIGW
AIRTALDLGFERVYFNIGSMEQDEIDVLGEWIGREDPVTMCVFQESYDRE
TYRRFMGKTSVGVPKADFDRRVVSFDRWLDAGYRYVNPGVLVGLHDDLSA
ELVSLVAHGDHLRSRGATADLSVPRMRPAMKSRDTTRVGDDDYLRLMSVV
AFTCPEQRLVLTTREPQEFQDVALGLAGVISPGSPDVAPYRAGCEARNDE
KSSQFLVADLRRPRHILGRIEASGTPVDHFVNPA
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(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)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4r33 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB4r33 Crystal Structure of Tryptophan Lyase (NosL): Evidence for Radical Formation at the Amino Group of Tryptophan.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		T141 G142 N175 F202 E204 R230 M285 R286 R323 Q363 F364
Binding residue
(residue number reindexed from 1)		T132 G133 N166 F193 E195 R221 M276 R277 R314 Q354 F355
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4r33, PDBe:4r33, PDBj:4r33
PDBsum4r33
PubMed25196319
UniProtC6FX51

[Back to BioLiP]