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PDB ID: pdb_00005z86

azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 3 days
Experimental method: X-RAY DIFFRACTION
Resolution: 1.85 Å
Deposition date: 2018-01-31

Number of assemblies: 2

Assembly ID: 1 (author_defined_assembly)
Structural data	modeled
Oligomeric count	13
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	AB (DMU ), AC (EDO ), BB (UNX ), BC (EDO ), CA (CU ), CB (PGV ), CC (EDO ), DA (MG ), DB (CDL ), DC (EDO ), EA (NA ), EB (CHD ), EC (ZN ), FA (AZI ), FB (PEK ), FC (EDO ), GA (AZI ), GB (PGV ), GC (EDO ), HA (PGV ), HB (PEK ), HC (EDO ), IA (PGV ), IB (DMU ), IC (PEK ), JA (EDO ), JB (DMU ), JC (CDL ), KA (EDO ), KB (EDO ), KC (CHD ), LA (EDO ), LB (EDO ), LC (EDO ), MA (EDO ), MB (EDO ), MC (EDO ), NA (EDO ), NB (EDO ), NC (EDO ), OA (EDO ), OB (EDO ), OC (EDO ), PA (EDO ), PB (EDO ), PC (CHD ), QA (EDO ), QB (EDO ), QC (EDO ), RA (EDO ), RB (EDO ), RC (TGL ), SA (EDO ), SB (TGL ), SC (DMU ), TA (EDO ), TB (EDO ), UA (EDO ), UB (EDO ), VA (TGL ), VB (EDO ), WA (CHD ), WB (EDO ), XA (CUA ), XB (EDO ), YA (EDO ), YB (PSC ), ZA (CHD ), ZB (EDO )

Each chain information

Showing all 13 chains (1 with heme). Show only chains with heme

Chain A heme
auth_asym_id	A
Residue indices (Uniprot)	1-514 (1-514)
Missing residues	1MET-1MET
Nonstandard amino acids
Uniprot ID	P00396 ￫UniprotKB
label_asym_ids of heme	BA , AA
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.08 Å

Chain B
auth_asym_id	B
Residue indices (Uniprot)	1-227 (1-227)
Missing residues	1MET-1MET
Nonstandard amino acids
Uniprot ID	P68530 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.10 Å

Chain C
auth_asym_id	C
Residue indices (Uniprot)	3-261 (1-261)
Uniprot ID	P00415 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain D
auth_asym_id	D
Residue indices (Uniprot)	4-147 (23-169)
Uniprot ID	P00423 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain E
auth_asym_id	E
Residue indices (Uniprot)	5-109 (44-152)
Uniprot ID	P00426 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain F
auth_asym_id	F
Residue indices (Uniprot)	1-98 (32-129)
Uniprot ID	P00428 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain G
auth_asym_id	G
Residue indices (Uniprot)	1-84 (13-97)
Missing residues	11THR-11THR
Nonstandard amino acids
Uniprot ID	P07471 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.11 Å

Chain H
auth_asym_id	H
Residue indices (Uniprot)	7-85 (2-86)
Uniprot ID	P00429 ￫UniprotKB
S-S bonds	29:64,39:53
label_asym_ids of heme	None
Available structure	PDB

Chain I
auth_asym_id	I
Residue indices (Uniprot)	1-73 (2-74)
Missing residues	1SER-1SER
Nonstandard amino acids
Uniprot ID	P04038 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.10 Å

Chain J
auth_asym_id	J
Residue indices (Uniprot)	1-58 (22-80)
Uniprot ID	P07470 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain K
auth_asym_id	K
Residue indices (Uniprot)	6-54 (25-80)
Uniprot ID	P13183 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain L
auth_asym_id	L
Residue indices (Uniprot)	2-47 (17-63)
Uniprot ID	P00430 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain M
auth_asym_id	M
Residue indices (Uniprot)	1-43 (25-70)
Uniprot ID	P10175 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Assembly ID: 2 (author_defined_assembly)
Structural data	modeled
Oligomeric count	13
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	AD (PGV ), AE (PEK ), AF (TGL ), BD (TGL ), BE (DMU ), BF (PGV ), CD (EDO ), CE (DMU ), CF (DMU ), DD (EDO ), DE (EDO ), ED (EDO ), EE (EDO ), FD (EDO ), FE (EDO ), GD (EDO ), GE (TGL ), HD (EDO ), HE (EDO ), ID (EDO ), IE (EDO ), JD (EDO ), JE (EDO ), KD (EDO ), KE (EDO ), LD (EDO ), LE (EDO ), MD (EDO ), ME (EDO ), ND (CUA ), NE (EDO ), OD (PSC ), OE (EDO ), PD (EDO ), PE (ZN ), QD (EDO ), QE (EDO ), RD (EDO ), RE (EDO ), SD (CHD ), SE (EDO ), TD (PEK ), TE (PEK ), UD (PGV ), UE (CDL ), VC (CU ), VD (UNX ), VE (EDO ), WC (MG ), WD (PGV ), WE (EDO ), XC (NA ), XD (CDL ), XE (EDO ), YC (AZI ), YD (CHD ), YE (CHD ), ZC (AZI ), ZD (DMU ), ZE (EDO )

Each chain information

Showing all 13 chains (1 with heme). Show only chains with heme

Chain N heme
auth_asym_id	N
Residue indices (Uniprot)	1-514 (1-514)
Missing residues	1MET-1MET
Nonstandard amino acids
Uniprot ID	P00396 ￫UniprotKB
label_asym_ids of heme	UC , TC
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.09 Å

Chain O
auth_asym_id	O
Residue indices (Uniprot)	1-227 (1-227)
Missing residues	1MET-1MET
Nonstandard amino acids
Uniprot ID	P68530 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.08 Å

Chain P
auth_asym_id	P
Residue indices (Uniprot)	3-261 (1-261)
Uniprot ID	P00415 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain Q
auth_asym_id	Q
Residue indices (Uniprot)	4-147 (23-169)
Uniprot ID	P00423 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain R
auth_asym_id	R
Residue indices (Uniprot)	5-109 (44-152)
Uniprot ID	P00426 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain S
auth_asym_id	S
Residue indices (Uniprot)	1-98 (32-129)
Uniprot ID	P00428 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain T
auth_asym_id	T
Residue indices (Uniprot)	1-84 (13-97)
Missing residues	11THR-11THR
Nonstandard amino acids
Uniprot ID	P07471 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.12 Å

Chain U
auth_asym_id	U
Residue indices (Uniprot)	7-85 (2-86)
Uniprot ID	P00429 ￫UniprotKB
S-S bonds	29:64,39:53
label_asym_ids of heme	None
Available structure	PDB

Chain V
auth_asym_id	V
Residue indices (Uniprot)	1-73 (2-74)
Missing residues	1SER-1SER
Nonstandard amino acids
Uniprot ID	P04038 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB and Modeled
RMSD of experimental residues after energy minimization	0.10 Å

Chain W
auth_asym_id	W
Residue indices (Uniprot)	1-58 (22-80)
Uniprot ID	P07470 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain X
auth_asym_id	X
Residue indices (Uniprot)	6-54 (25-80)
Uniprot ID	P13183 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain Y
auth_asym_id	Y
Residue indices (Uniprot)	2-47 (17-63)
Uniprot ID	P00430 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain Z
auth_asym_id	Z
Residue indices (Uniprot)	1-43 (25-70)
Uniprot ID	P10175 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB