Structure of PDB 2ivf Chain A

Receptor sequence

>2ivfA (length=912) Species: 76114 (Aromatoleum aromaticum EbN1) [Search protein sequence]

EDIYRKEWKWDKVNWGSHLNICWPQGSCKFYVYVRNGIVWREEQAAQTPA
CNVDYVDYNPLGCQKGSAFNNNLYGDERVKYPLKRVGKRGEGKWKRVSWD
EAAGDIADSIIDSFEAQGSDGFILDAPHVHAGSIAWGAGFRMTYLMDGVS
PDINVDIGDTYMGAFHTFGKMHMGYSADNLLDAELIFMTCSNWSYTYPSS
YHFLSEARYKGAEVVVIAPDFNPTTPAADLHVPVRVGSDAAFWLGLSQVM
IDEKLFDRQFVCEQTDLPLLVRMDTGKFLSAEDVDGGEAKQFYFFDEKAG
SVRKASRGTLKLDFMPALEGTFSARLKNGKTIQVRTVFEGLREHLKDYTP
EKASAKCGVPVSLIRELGRKVAKKRTCSYIGFSSAKSYHGDLMERSLFLA
MALSGNWGKPGTGAFAWAYSDDNMVYLGVMSKPTAQGGMDELHQMAEGFN
KRTLEADPTSTDEMGNIEFMKVVTSAVGLVPPAMWLYYHVGYDQLWNNKA
WTDPALKKSFGAYLDEAKEKGWWTNDHIRPAPDKTPQVYMLLSQNPMRRK
RSGAKMFPDVLFPKLKMIFALETRMSSSAMYADIVLPCAWYYEKHEMTTP
CSGNPFFTFVDRSVAPPGECREEWDAIALILKKVGERAAARGLTEFNDHN
GRKRRYDELYKKFTMDGHLLTNEDCLKEMVDINRAVGVFAKDYTYEKFKK
EGQTRFLSMGTGVSRYAHANEVDVTKPIYPMRWHFDDKKVFPTHTRRAQF
YLDHDWYLEAGESLPTHKDTPMVGGDHPFKITGGHPRVSIHSTHLTNSHL
SRLHRGQPVVHMNSKDAAELGIKDGDMAKLFNDFADCEIMVRTAPNVQPK
QCIVYFWDAHQYKGWKPYDILLIGMPKPLHLAGGYEQFRYYFMNGSPAPV
TDRGVRVSIKKA

3D structure

PDB

2ivf Crystal Structure of Ethylbenzene Dehydrogenase from Aromatoleum Aromaticum

Chain

Resolution

1.88 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	K129 P191 D220 I221 M494
Catalytic site (residue number reindexed from 1)	K65 P127 D156 I157 M430
Enzyme Commision number	1.17.99.2: ethylbenzene hydroxylase.

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	SF4	A	H82 C86 G90 C92 F94 G126 C127 G130	H18 C22 G26 C28 F30 G62 C63 G66
BS02	MGD	A	I85 W87 D223 C254 S255 N256 Y259 T260 I281 P283 D284 N286 G301 D303 G445 F446 S447 G847 G848 H849 P850 S853 I854 H855	I21 W23 D159 C190 S191 N192 Y195 T196 I217 P219 D220 N222 G237 D239 G381 F382 S383 G783 G784 H785 P786 S789 I790 H791
BS03	MD1	A	H192 H194 A195 I221 D223 K450 S607 Q608 N609 R612 R613 R615 L635 E636 T637 R638 C652 W654 Y655 K658 E687 H849 H855 S856 F920 Y932 D933 R967	H128 H130 A131 I157 D159 K386 S543 Q544 N545 R548 R549 R551 L571 E572 T573 R574 C588 W590 Y591 K594 E623 H785 H791 S792 F856 Y868 D869 R903

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

View graph for
Molecular Function

External links

PDB	RCSB:2ivf, PDBe:2ivf, PDBj:2ivf
PDBsum	2ivf
PubMed	16962969
UniProt	Q5P5I0

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