Structure of PDB 4ydd Chain A Binding Site BS01

Receptor Information
>4ydd Chain A (length=895) Species: 640081 (Azospira oryzae PS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISGAFEYSGWENFHRTQWSWDKKTRGAHLVNCTGACPHFVYSKDGVVMRE
EQSKDIAPMPNIPEYNPRGCNKGECGHDYMYGPHRIKYPLIRVGERGEGK
WRRATWEEALDMIADKCVDTIKNHAPDCISVYSPVPAVSPVSFSAGHRFA
HYIGAHAHTFYDWYGDHPTGQTQTCGVQGDTCETADWFNSKYIILWGSNP
TQTRIPDAHFLSEAQLNGAKIVSISPDYNSSTIKVDKWIHPQPGTDGALA
MAMAHVIIKEKLYDAHSLKEQTDLSYLVRSDTKRFLREADVVAGGSKDKF
YFWNAKTGKPVIPKGSWGDQPEKKGSPVGFLGRNTFAFPKGYIDLGDLDP
ALEGKFNMQLLDGKTVEVRPVFEILKSRLMADNTPEKAAKITGVTAKAIT
ELAREFATAKPSMIICGGGTQHWYYSDVLLRAMHLLTALTGTEGTNGGGM
NHYIGQWKPAFVAGLVALAFPEGVNKQRFCQTTIWTYIHAEVNDEIISSD
IDTEKYLRDSITTGQMPNMPEQGRDPKVFFVYRGNWLNQAKGQKYVLENL
WPKLELIVDINIRMDSTALYSDVVLPSAHWYEKLDLNVTSEHSYINMTEP
AIKPMWESKTDWQIFLALAKRVEMAAKRKKYEKFNDEKFKWVRDLSNLWN
QMTMDGKLAEDEAAAQYILDNAPQSKGITIQMLREKPQRFKSNWTSPLKE
GVPYTPFQYFVVDKKPWPTLTGRQQFYLDHDTFFDMGVELPTYKAPIDAD
KYPFRFNSPHSRHSVHSTFKDNVLMLRLQRGGPSIEMSPLDAKPLGIKDN
DWVEAWNNHGKVICRVKIRNGEQRGRVSMWHCPELYMDLLTGGSQSVCPV
RINPTNLVGNYGHLFFRPNYYGPAGSQRDVRVNVKRYIGATPISF
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4ydd Chain A Residue 1001 [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]
PDB4ydd Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		H32 C36 G38 C40 G73 C74 G77
Binding residue
(residue number reindexed from 1)		H28 C32 G34 C36 G69 C70 G73
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K76 P138 P140 W167 Y168 D170 P172 Y457 Q460
Catalytic site (residue number reindexed from 1) K72 P134 P136 W163 Y164 D166 P168 Y453 Q456
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
GO:0045333 cellular respiration
Cellular Component
GO:0016020 membrane
GO:1990204 oxidoreductase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ydd, PDBe:4ydd, PDBj:4ydd
PDBsum4ydd
PubMed26940877
UniProtG8QM55

[Back to BioLiP]