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BioLiP

Structure of PDB 2whf Chain A

Receptor sequence
>2whfA (length=394) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
SHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADV
WSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVS
RGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHY
LGVPEEDWTQFDGWTQAIVAANAVGALDAVGSMMAYFTGLIERRRTEPAD
DAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLH
RRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPA
GRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAA
RMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVT
3D structure
PDB2whf Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
ChainA
Resolution1.58 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) A175 G243 D246 T247 V248 C354 L355 G356 Q363 V393
Catalytic site (residue number reindexed from 1) A170 G233 D236 T237 V238 C344 L345 G346 Q353 V383
Enzyme Commision number 1.14.-.-
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 HEM A M89 V90 H97 R101 M240 G244 T247 L293 R295 Y318 T346 F347 S348 H352 C354 G356 A360 M84 V85 H92 R96 M230 G234 T237 L283 R285 Y308 T336 F337 S338 H342 C344 G346 A350
BS02 II4 A L71 V90 M91 G243 V290 L293 L66 V85 M86 G233 V280 L283 MOAD: Kd=4.8uM
BindingDB: Kd=3.26e+4nM
BS03 II4 A P88 N177 A235 F238 T242 P83 N172 A225 F228 T232 MOAD: Kd=4.8uM
BindingDB: Kd=3.26e+4nM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
Cellular Component
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Cellular Component
External links
PDB RCSB:2whf, PDBe:2whf, PDBj:2whf
PDBsum2whf
PubMed19605350
UniProtP9WPN5|CP130_MYCTU Cytochrome P450 130 (Gene Name=cyp130)

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