Structure of PDB 4at2 Chain A

Receptor sequence

>4at2A (length=483) Species: 101510 (Rhodococcus jostii RHA1)

IRPRSATTVTEWDYEADVVVAGYGIAGVAASIEAARAGADVLVLERTSGW
GGATALAGGFIYLGGGTPLQKACGFDDSPENMKTFMMAALGPGADEEKIT
DYCEGSVEHYNWLVDCGVPFKESFWGEPGWEPPFDDGLMYSGGENAAPFN
EIAAPAPRGHVPQMDGKRTGEKGGGYMLMKPLVETAEKLGVRAEYDMRVQ
TLVTDDTGRVVGIVAKQYGKEVAVRARRGVVLATGSFAYNDKMIEAHAPR
LIGRPGAAIEEHDGRSILMAQALGADLAHMDATEVAFVCDPQLIVRGILV
NGRGQRYVPEDTYSGRIGQMTLFHQDNQAFLIIDEASYEEGAAATTATPF
LRVQPKWAAETVEELESDMGLPAGALQSTVEVYNKHAAEGSDPLLHKKSE
WVKPIGTPVAALDLRGFTLGFTLGGLRTTVNSEVLHVSGEPIPGLFAAGR
CTSGVCAGGYASGTSLGDGSFYGRRAGISAAKQ

3D structure

• PDB: 4at2 Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4-(5Alpha)-Dehydrogenase from Rhodococcus Jostii Rha1 Genome.
• Chain: A
• Resolution: 1.6 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): I31 D296 L299 S320 G426 F427 Y466
• Catalytic site (residue number reindexed from 1): I25 D290 L293 S314 G420 F421 Y460
• Enzyme Commision number: 1.3.99.5: 3-oxo-5alpha-steroid 4-dehydrogenase (acceptor).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ASD	A	W136 E290 A292 T354 Y466 S468	W130 E284 A286 T348 Y460 S462
BS02	FAD	A	G28 G30 I31 E51 R52 G58 A59 T60 A63 G64 F66 T175 M203 V205 T240 E267 H268 F427 G455 R456 Y466 G469 S471 L472	G22 G24 I25 E45 R46 G52 A53 T54 A57 G58 F60 T169 M197 V199 T234 E261 H262 F421 G449 R450 Y460 G463 S465 L466

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0033765 steroid dehydrogenase activity, acting on the CH-CH group of donors

Biological Process

• GO:0008202 steroid metabolic process

External links

• PDB: RCSB:4at2, PDBe:4at2, PDBj:4at2
• PDBsum: 4at2
• PubMed: 22833669
• UniProt: Q0S4Q9