5GV8

Structure of NADH-cytochrome b5 reductase refined with the multipolar atomic model at 0.78A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
A	0005739	cellular_component	mitochondrion
A	0005741	cellular_component	mitochondrial outer membrane
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006629	biological_process	lipid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006695	biological_process	cholesterol biosynthetic process
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0016126	biological_process	sterol biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0071949	molecular_function	FAD binding
A	0090524	molecular_function	cytochrome-b5 reductase activity, acting on NADH

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	binding site for residue FAD A 1301

Chain	Residue
A	ARG1063
A	THR1088
A	HIS1089
A	PHE1092
A	GLY1095
A	GLY1096
A	LYS1097
A	MET1098
A	SER1099
A	THR1153
A	THR1156
A	PRO1064
A	PRO1157
A	GOL1304
A	GOL1305
A	HOH1405
A	HOH1454
A	HOH1494
A	HOH1543
A	HOH1545
A	HOH1567
A	HOH1579
A	TYR1065
A	HOH1650
A	HOH1709
A	HOH1733
A	THR1066
A	VAL1080
A	ILE1081
A	LYS1082
A	TYR1084
A	PHE1085

---

site_id	AC2
Number of Residues	7
Details	binding site for residue GOL A 1302

Chain	Residue
A	PRO1038
A	GLY1075
A	ASP1170
A	HOH1421
A	HOH1574
A	HOH1745
A	HOH1878

---

site_id	AC3
Number of Residues	14
Details	binding site for residue GOL A 1303

Chain	Residue
A	GLY1151
A	GLY1152
A	ALA1180
A	ASN1181
A	ASP1211
A	PHE1223
A	PRO1247
A	MET1250
A	HOH1408
A	HOH1441
A	HOH1569
A	HOH1625
A	HOH1708
A	HOH1735

---

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL A 1304

Chain	Residue
A	ALA1094
A	GLY1095
A	LYS1097
A	FAD1301
A	HOH1418
A	HOH1490
A	HOH1546
A	HOH1632
A	HOH1898

---

site_id	AC5
Number of Residues	11
Details	binding site for residue GOL A 1305

Chain	Residue
A	THR1153
A	GLY1154
A	GLY1246
A	PRO1247
A	PRO1248
A	FAD1301
A	HOH1579
A	HOH1668
A	HOH1709
A	HOH1726
A	HOH1774

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	112
Details	Domain: {"description":"FAD-binding FR-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00716","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7893687","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NDH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P00387","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P00387","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P00387","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q9DCN2","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 862

Chain	Residue	Details
A	HIS1049	proton shuttle (general acid/base), single electron shuttle
A	TYR1065	electrostatic stabiliser
A	THR1066	proton shuttle (general acid/base), single electron shuttle
A	CYS1245	alter redox potential

---