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5ADN

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl) quinolin-2-amine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
ATRP449
APHE475
ATYR477
AH4B600
A2SN800
AEDO870
AHOH2243
AHOH2244
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AMET360
AGLU363

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2037
AHOH2184
AHOH2223
AHOH2244
BTRP447
BPHE462
BHIS463

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2SN A 800
ChainResidue
ASER248
AGLN249
AVAL338
AASN340
AMET341
APHE355
ATRP358
ATYR359
AGLU363
ATYR477
AHEM500
AACT861
AEDO870

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AARG252
AASN368
AARG374
A2SN800
AEDO870

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 870
ChainResidue
AGLN249
ATYR359
AGLU363
AASN368
AHEM500
A2SN800
AACT861
AHOH2180

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B600
AHOH2184
BTRP76

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B600
B2SN800
BEDO870
BHOH2197
BHOH2198

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AGLU465
AHOH2233
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2030
BHOH2149
BHOH2184
BHOH2198

site_idBC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2SN B 800
ChainResidue
BMET341
BPHE355
BTRP358
BTYR359
BGLU363
BTYR477
BHEM500
BACT861
BEDO870
BSER248
BGLN249
BVAL338
BASN340

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2072

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BGLN249
BARG252
BASN368
BARG374
B2SN800
BEDO870

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 870
ChainResidue
BGLN249
BTYR359
BGLU363
BASN368
BHEM500
B2SN800
BACT861
BHOH2147

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
ATRP76
AHOH2233
BVAL106
BARG367
BHIS373
BTRP449
BH4B600

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG185-TRP192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P35228
ChainResidueDetails
ACYS96
ACYS101
BCYS96
BCYS101

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER104
ATYR477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BASN368
BALA448
BTRP449
BPHE462
AGLN249
BTYR477
ATRP358
ATYR359
AGLU363
AASN368
AALA448
ATRP449
APHE462

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ACYS186
BCYS186

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000250|UniProtKB:P29474
ChainResidueDetails
ASER116
BSER116

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PDB entries from 2024-08-14

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