3W2E

Crystal structure of oxidation intermediate (20 min) of NADH-cytochrome b5 reductase from pig liver

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	26
Details	BINDING SITE FOR RESIDUE FAD A 301

Chain	Residue
A	HIS49
A	PHE85
A	HIS89
A	PHE92
A	GLY95
A	GLY96
A	LYS97
A	MET98
A	SER99
A	THR153
A	THR156
A	ARG63
A	NAD302
A	HOH413
A	HOH433
A	HOH451
A	HOH480
A	HOH501
A	HOH528
A	PRO64
A	TYR65
A	THR66
A	VAL80
A	ILE81
A	LYS82
A	TYR84

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site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD A 302

Chain	Residue
A	LYS82
A	TYR84
A	GLY152
A	THR153
A	GLY154
A	ALA180
A	ASN181
A	GLN182
A	ASP211
A	PHE223
A	CYS245
A	GLY246
A	PRO247
A	PRO248
A	PRO249
A	MET250
A	PHE272
A	FAD301
A	HOH415
A	HOH416
A	HOH479
A	HOH480
A	HOH494
A	HOH497
A	HOH499

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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	ARG63
A	PRO64
A	TYR65
A	LYS97
A	MET98
A	SER99

---

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

Chain	Residue	Details
A	VAL80
A	LYS82
A	TYR84
A	THR156

---

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

Chain	Residue	Details
A	LYS13

---

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

Chain	Residue	Details
A	TYR14

---

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

Chain	Residue	Details
A	LYS21
A	LYS91

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 862

Chain	Residue	Details
A	HIS49	proton shuttle (general acid/base), single electron shuttle
A	TYR65	electrostatic stabiliser
A	THR66	proton shuttle (general acid/base), single electron shuttle
A	CYS245	alter redox potential

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