4Z3D

Human carbonyl reductase 1 with glutathione in a protective configuration

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004090	molecular_function	carbonyl reductase (NADPH) activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0008211	biological_process	glucocorticoid metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A	0019371	biological_process	cyclooxygenase pathway
A	0030855	biological_process	epithelial cell differentiation
A	0042373	biological_process	vitamin K metabolic process
A	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
A	0047021	molecular_function	15-hydroxyprostaglandin dehydrogenase (NADP+) activity
A	0050221	molecular_function	prostaglandin E2 9-reductase activity
A	0070062	cellular_component	extracellular exosome
A	0160163	molecular_function	S-nitrosoglutathione reductase (NADPH) activity
A	1903561	cellular_component	extracellular vesicle
A	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
B	0004090	molecular_function	carbonyl reductase (NADPH) activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
B	0008211	biological_process	glucocorticoid metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B	0019371	biological_process	cyclooxygenase pathway
B	0030855	biological_process	epithelial cell differentiation
B	0042373	biological_process	vitamin K metabolic process
B	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
B	0047021	molecular_function	15-hydroxyprostaglandin dehydrogenase (NADP+) activity
B	0050221	molecular_function	prostaglandin E2 9-reductase activity
B	0070062	cellular_component	extracellular exosome
B	0160163	molecular_function	S-nitrosoglutathione reductase (NADPH) activity
B	1903561	cellular_component	extracellular vesicle
B	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
C	0004090	molecular_function	carbonyl reductase (NADPH) activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
C	0008211	biological_process	glucocorticoid metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
C	0019371	biological_process	cyclooxygenase pathway
C	0030855	biological_process	epithelial cell differentiation
C	0042373	biological_process	vitamin K metabolic process
C	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
C	0047021	molecular_function	15-hydroxyprostaglandin dehydrogenase (NADP+) activity
C	0050221	molecular_function	prostaglandin E2 9-reductase activity
C	0070062	cellular_component	extracellular exosome
C	0160163	molecular_function	S-nitrosoglutathione reductase (NADPH) activity
C	1903561	cellular_component	extracellular vesicle
C	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
D	0004090	molecular_function	carbonyl reductase (NADPH) activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
D	0008211	biological_process	glucocorticoid metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
D	0019371	biological_process	cyclooxygenase pathway
D	0030855	biological_process	epithelial cell differentiation
D	0042373	biological_process	vitamin K metabolic process
D	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
D	0047021	molecular_function	15-hydroxyprostaglandin dehydrogenase (NADP+) activity
D	0050221	molecular_function	prostaglandin E2 9-reductase activity
D	0070062	cellular_component	extracellular exosome
D	0160163	molecular_function	S-nitrosoglutathione reductase (NADPH) activity
D	1903561	cellular_component	extracellular vesicle
D	2000379	biological_process	positive regulation of reactive oxygen species metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue GSH A 301

Chain	Residue
A	PHE94
A	MET234
A	ALA235
A	NDP302
A	HOH449
A	HOH455
A	HOH517
A	HOH549
A	HOH606
A	HOH628
A	LYS95
A	PHE102
A	GLN105
A	SER139
A	MET141
A	SER191
A	ALA192
A	TYR193

---

site_id	AC2
Number of Residues	38
Details	binding site for residue NDP A 302

Chain	Residue
A	GLY11
A	ASN13
A	LYS14
A	GLY15
A	ILE16
A	ARG37
A	ARG41
A	LEU61
A	ASP62
A	ILE63
A	ASP64
A	ASN89
A	ALA90
A	GLY91
A	ILE92
A	VAL137
A	SER138
A	TYR193
A	LYS197
A	PRO227
A	GLY228
A	TRP229
A	VAL230
A	THR232
A	ASP233
A	MET234
A	ALA235
A	GSH301
A	HOH407
A	HOH418
A	HOH437
A	HOH463
A	HOH493
A	HOH509
A	HOH516
A	HOH526
A	HOH528
A	HOH562

---

site_id	AC3
Number of Residues	17
Details	binding site for residue GSH B 301

Chain	Residue
B	PHE94
B	LYS95
B	GLN105
B	SER139
B	MET141
B	SER191
B	ALA192
B	TYR193
B	MET234
B	ALA235
B	NDP302
B	HOH438
B	HOH512
B	HOH519
B	HOH599
B	HOH607
B	HOH618

---

site_id	AC4
Number of Residues	41
Details	binding site for residue NDP B 302

Chain	Residue
B	MET234
B	ALA235
B	GSH301
B	HOH401
B	HOH437
B	HOH448
B	HOH451
B	HOH457
B	HOH468
B	HOH481
B	HOH486
B	HOH492
B	HOH501
B	HOH502
B	HOH542
B	GLY11
B	ASN13
B	LYS14
B	GLY15
B	ILE16
B	ARG37
B	ARG41
B	LEU61
B	ASP62
B	ILE63
B	ASP64
B	ASN89
B	ALA90
B	GLY91
B	ILE92
B	VAL137
B	SER138
B	SER139
B	TYR193
B	LYS197
B	PRO227
B	GLY228
B	TRP229
B	VAL230
B	THR232
B	ASP233

---

site_id	AC5
Number of Residues	14
Details	binding site for residue GSH C 301

Chain	Residue
C	PHE94
C	LYS95
C	GLN105
C	SER139
C	MET141
C	SER191
C	ALA192
C	TYR193
C	MET234
C	ALA235
C	NDP302
C	HOH443
C	HOH453
C	HOH507

---

site_id	AC6
Number of Residues	37
Details	binding site for residue NDP C 302

Chain	Residue
C	GLY11
C	ASN13
C	LYS14
C	GLY15
C	ILE16
C	ARG37
C	ARG41
C	LEU61
C	ASP62
C	ILE63
C	ASP64
C	ASN89
C	ALA90
C	GLY91
C	ILE92
C	VAL137
C	SER138
C	SER139
C	TYR193
C	LYS197
C	PRO227
C	GLY228
C	TRP229
C	VAL230
C	THR232
C	MET234
C	ALA235
C	GSH301
C	HOH431
C	HOH434
C	HOH436
C	HOH454
C	HOH468
C	HOH470
C	HOH475
C	HOH478
C	HOH539

---

site_id	AC7
Number of Residues	12
Details	binding site for residue GSH D 301

Chain	Residue
D	PHE94
D	LYS95
D	GLN105
D	SER139
D	SER191
D	ALA192
D	TYR193
D	MET234
D	ALA235
D	NDP302
D	HOH437
D	HOH441

---

site_id	AC8
Number of Residues	39
Details	binding site for residue NDP D 302

Chain	Residue
D	GLY11
D	ASN13
D	LYS14
D	GLY15
D	ILE16
D	ARG37
D	ARG41
D	LEU61
D	ASP62
D	ILE63
D	ASP64
D	ASN89
D	ALA90
D	GLY91
D	ILE92
D	VAL137
D	SER138
D	SER139
D	TYR193
D	LYS197
D	PRO227
D	GLY228
D	TRP229
D	VAL230
D	THR232
D	ASP233
D	MET234
D	ALA235
D	GSH301
D	HOH420
D	HOH427
D	HOH444
D	HOH447
D	HOH453
D	HOH461
D	HOH467
D	HOH474
D	HOH500
D	HOH510

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LYS180-ALA208

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	TYR193
B	TYR193
C	TYR193
D	TYR193

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:15799708, ECO:0000269|PubMed:17912391, ECO:0000269|PubMed:18826943

Chain	Residue	Details
A	VAL9
B	VAL230
C	VAL9
C	ASP62
C	ASN89
C	TYR193
C	VAL230
D	VAL9
D	ASP62
D	ASN89
D	TYR193
A	ASP62
D	VAL230
A	ASN89
A	TYR193
A	VAL230
B	VAL9
B	ASP62
B	ASN89
B	TYR193

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
A	PHE94
C	GLN105
C	SER139
C	ALA192
D	PHE94
D	GLN105
D	SER139
D	ALA192
A	GLN105
A	SER139
A	ALA192
B	PHE94
B	GLN105
B	SER139
B	ALA192
C	PHE94

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P47727

Chain	Residue	Details
A	SER1
B	SER1
C	SER1
D	SER1

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P48758

Chain	Residue	Details
A	SER29
B	SER29
C	SER29
D	SER29

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: N6-1-carboxyethyl lysine => ECO:0000269|PubMed:8421682

Chain	Residue	Details
A	LYS238
B	LYS238
C	LYS238
D	LYS238

---