3VZS

Crystal structure of PhaB from Ralstonia eutropha in complex with Acetoacetyl-CoA and NADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0016491	molecular_function	oxidoreductase activity
A	0018454	molecular_function	acetoacetyl-CoA reductase activity
A	0042619	biological_process	poly-hydroxybutyrate biosynthetic process
B	0005737	cellular_component	cytoplasm
B	0016491	molecular_function	oxidoreductase activity
B	0018454	molecular_function	acetoacetyl-CoA reductase activity
B	0042619	biological_process	poly-hydroxybutyrate biosynthetic process
C	0005737	cellular_component	cytoplasm
C	0016491	molecular_function	oxidoreductase activity
C	0018454	molecular_function	acetoacetyl-CoA reductase activity
C	0042619	biological_process	poly-hydroxybutyrate biosynthetic process
D	0005737	cellular_component	cytoplasm
D	0016491	molecular_function	oxidoreductase activity
D	0018454	molecular_function	acetoacetyl-CoA reductase activity
D	0042619	biological_process	poly-hydroxybutyrate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 301

Chain	Residue
A	GLY14
A	THR188
A	ASP189
A	MET190
A	HOH511
A	HOH512
A	HOH520
A	HOH529
A	HOH544

---

site_id	AC2
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAP A 302

Chain	Residue
A	GLY10
A	CYS34
A	GLY35
A	ARG40
A	GLY60
A	ASN61
A	VAL62
A	ALA89
A	GLY90
A	ILE91
A	THR92
A	PRO183
A	GLY184
A	ILE186
A	THR188
A	MET190
A	VAL191
A	CAA303
A	HOH424
A	HOH458
A	HOH471
A	HOH507
A	HOH509
A	HOH511
A	HOH512
A	HOH515
A	HOH519
A	HOH524
A	HOH532
A	HOH544
A	HOH575

---

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CAA A 303

Chain	Residue
A	THR92
A	ASP94
A	SER140
A	ASN142
A	GLN147
A	PHE148
A	GLY149
A	GLN150
A	TYR153
A	GLY184
A	TYR185
A	ARG195
A	VAL198
A	LYS201
A	ILE202
A	NAP302
A	HOH516
A	HOH526
A	HOH541
A	HOH556
A	HOH572

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 301

Chain	Residue
B	GLY14
B	ARG40
B	THR188
B	ASP189
B	MET190
B	NAP302
B	HOH508
B	HOH523

---

site_id	AC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAP B 302

Chain	Residue
B	HOH556
B	GLY10
B	ILE15
B	CYS34
B	GLY35
B	ARG40
B	GLY60
B	ASN61
B	VAL62
B	ALA89
B	GLY90
B	ILE91
B	THR92
B	THR111
B	SER139
B	PRO183
B	GLY184
B	ILE186
B	THR188
B	MET190
B	VAL191
B	SO4301
B	CAA303
B	HOH435
B	HOH449
B	HOH506
B	HOH507
B	HOH508
B	HOH518
B	HOH533
B	HOH551

---

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE CAA B 303

Chain	Residue
B	THR92
B	ASP94
B	GLN147
B	PHE148
B	GLY149
B	GLN150
B	TYR153
B	GLY184
B	TYR185
B	ARG195
B	VAL198
B	NAP302
B	HOH506
B	HOH513
B	HOH517
B	HOH527
B	HOH555

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 301

Chain	Residue
C	GLY13
C	GLY14
C	THR188
C	ASP189
C	MET190
C	HOH504

---

site_id	AC8
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAP C 302

Chain	Residue
C	GLY10
C	ILE15
C	GLY35
C	ARG40
C	GLY60
C	ASN61
C	VAL62
C	ALA89
C	GLY90
C	ILE91
C	THR92
C	THR111
C	SER139
C	PRO183
C	GLY184
C	ILE186
C	THR188
C	MET190
C	VAL191
C	CAA303
C	HOH440
C	HOH499
C	HOH540

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CAA C 303

Chain	Residue
C	THR92
C	ASP94
C	SER140
C	ASN142
C	GLN147
C	PHE148
C	GLN150
C	TYR153
C	GLY184
C	TYR185
C	ARG195
C	NAP302
C	HOH521
C	HOH525

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 301

Chain	Residue
D	GLY13
D	GLY14
D	THR188
D	ASP189
D	MET190
D	NAP302

---

site_id	BC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAP D 302

Chain	Residue
D	GLY10
D	ILE15
D	CYS34
D	GLY35
D	ARG40
D	GLY60
D	ASN61
D	VAL62
D	ALA89
D	GLY90
D	ILE91
D	THR92
D	PRO183
D	GLY184
D	ILE186
D	THR188
D	MET190
D	VAL191
D	SO4301
D	CAA303
D	HOH496
D	HOH501
D	HOH516

---

site_id	BC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CAA D 303

Chain	Residue
D	THR92
D	ASP94
D	SER140
D	GLN147
D	PHE148
D	GLN150
D	TYR153
D	GLY184
D	TYR185
D	MET190
D	ARG195
D	NAP302
D	HOH510

---

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. SvngqkgqfgQtnYSTAKAGLhGFTmALA

Chain	Residue	Details
A	SER140-ALA168

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10001

Chain	Residue	Details
A	TYR153
B	TYR153
C	TYR153
D	TYR153

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269|PubMed:23913421

Chain	Residue	Details
A	GLY13
B	GLY60
B	ASN88
B	PRO183
C	GLY13
C	GLY35
C	ARG40
C	GLY60
C	ASN88
C	PRO183
D	GLY13
A	GLY35
D	GLY35
D	ARG40
D	GLY60
D	ASN88
D	PRO183
A	ARG40
A	GLY60
A	ASN88
A	PRO183
B	GLY13
B	GLY35
B	ARG40

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
A	ASP94
C	GLN147
C	GLY184
C	ARG195
D	ASP94
D	GLN147
D	GLY184
D	ARG195
A	GLN147
A	GLY184
A	ARG195
B	ASP94
B	GLN147
B	GLY184
B	ARG195
C	ASP94

---