1K0I

Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016709	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
A	0018659	molecular_function	4-hydroxybenzoate 3-monooxygenase activity
A	0043639	biological_process	benzoate catabolic process
A	0043640	biological_process	benzoate catabolic process via hydroxylation
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0071949	molecular_function	FAD binding
A	0106356	molecular_function	4-hydroxybenzoate 3-monooxygenase (NADPH) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 701

Chain	Residue
A	GLY81
A	PRO248
A	SER249
A	GLU250
A	HOH632
A	HOH667
A	HOH676

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 702

Chain	Residue
A	ARG334
A	HOH402
A	ARG327
A	ALA330

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 703

Chain	Residue
A	LYS175
A	ARG362

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 704

Chain	Residue
A	ARG352
A	PHE353
A	PRO354
A	ASP355
A	HOH513

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 705

Chain	Residue
A	ARG33
A	ARG128
A	HOH494

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 706

Chain	Residue
A	ASP131
A	LEU132
A	GLN133

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 707

Chain	Residue
A	ARG42
A	ARG44
A	HOH527

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 708

Chain	Residue
A	ARG33
A	ARG33

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO3 A 709

Chain	Residue
A	PRO36
A	GLN123
A	GLU253

---

site_id	BC1
Number of Residues	39
Details	BINDING SITE FOR RESIDUE FAD A 395

Chain	Residue
A	GLY9
A	GLY11
A	PRO12
A	SER13
A	LEU31
A	GLU32
A	ARG33
A	GLN34
A	ARG42
A	ARG44
A	ALA45
A	GLN102
A	VAL127
A	CYS158
A	ASP159
A	GLY160
A	GLY163
A	ILE164
A	GLY285
A	ASP286
A	ALA296
A	GLY298
A	LEU299
A	PHB396
A	PHB397
A	HOH401
A	HOH410
A	HOH411
A	HOH415
A	HOH442
A	HOH447
A	HOH448
A	HOH494
A	HOH497
A	HOH535
A	HOH540
A	HOH555
A	HOH573
A	HOH657

---

site_id	BC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PHB A 396

Chain	Residue
A	ALA45
A	VAL47
A	LEU199
A	TYR201
A	SER212
A	ARG214
A	GLN220
A	TYR222
A	PRO293
A	THR294
A	ALA296
A	FAD395
A	HOH508

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PHB A 397

Chain	Residue
A	ARG269
A	ASP286
A	ILE290
A	FAD395
A	HOH434
A	HOH680
A	HOH684

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10600126","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11805318","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15924424","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7939628","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8312276","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8555229","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10600126","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15924424","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7939628","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8312276","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8555229","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"PubMed","id":"8312276","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dod

Chain	Residue	Details
A	TYR201
A	TYR385

---

site_id	MCSA1
Number of Residues	5
Details	M-CSA 131

Chain	Residue	Details
A	HIS72	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	TYR201	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	PRO293	electrostatic stabiliser, hydrogen bond acceptor
A	LYS297	attractive charge-charge interaction, electrostatic stabiliser, steric role
A	TYR385	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

---