3W5H

Ultra-high resolution structure of NADH-cytochrome b5 reductase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004128	molecular_function	cytochrome-b5 reductase activity, acting on NAD(P)H
A	0005575	cellular_component	cellular_component
A	0005739	cellular_component	mitochondrion
A	0005741	cellular_component	mitochondrial outer membrane
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006695	biological_process	cholesterol biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0071949	molecular_function	FAD binding

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	HOH2006
A	HOH2029
A	HOH2060
A	HOH2071
A	HOH2072
A	HOH2187
A	HOH2204
A	TYR1065
A	HOH2226
A	HOH2232
A	HOH2451
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	HOH2058
A	HOH2200
A	HOH2408
A	HOH2411

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GOL A 1303

Chain	Residue
A	GLY1151
A	GLY1152
A	ALA1180
A	ASN1181
A	GLN1182
A	ASP1211
A	PHE1223
A	PRO1247
A	MET1250
A	HOH2034
A	HOH2164
A	HOH2238
A	HOH2482
A	HOH2524
A	HOH2603
A	HOH2604

---

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	HOH2088
A	HOH2123
A	HOH2329
A	HOH2436
A	HOH2442

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL A 1305

Chain	Residue
A	GLY1151
A	THR1153
A	GLY1154
A	GLY1246
A	PRO1247
A	PRO1248
A	FAD1301
A	HOH2029
A	HOH2089
A	HOH2451
A	HOH2556
A	HOH2563

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:7893687, ECO:0007744|PDB:1NDH

Chain	Residue	Details
A	ARG1063
A	PRO1064
A	TYR1065
A	LYS1097
A	MET1098
A	SER1099

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P00387

Chain	Residue	Details
A	VAL1080
A	LYS1082
A	TYR1084
A	THR1156

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P00387

Chain	Residue	Details
A	LYS1013

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P00387

Chain	Residue	Details
A	TYR1014

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q9DCN2

Chain	Residue	Details
A	LYS1021
A	LYS1091

---

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

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