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4D35

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-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 Residues18
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AMET360
AGLU363
ATRP449
APHE475
ATYR477
AH4B600
A4E8800
AHOH2125
AHOH2126
AARG185
ACYS186
AGLY188
ASER228
AMET341
APHE355
ASER356
ATRP358

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AVAL106
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH2090
AHOH2115
AHOH2126
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE 4E8 A 800
ChainResidue
ALEU107
AGLN249
APRO336
AVAL338
AGLU363
ATYR477
AHEM500

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
ASER428

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AGLN249
AARG252
AASN368
AARG374
AHOH2058

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
AH4B600
AHOH2090

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BVAL187
BGLY188
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B600
B4E8800
BHOH2067
BHOH2068

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
APHE462
AHIS463
AGLN464
AGLU465
AHOH2120
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH2064
BHOH2068

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 4E8 B 800
ChainResidue
ATRP76
BLEU107
BGLN249
BPRO336
BVAL338
BTYR477
BHEM500
BGOL880

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2069

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BGLN249

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
AHOH2120
BVAL106
BARG367
BHIS373
BH4B600
B4E8800

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 2024-04-24

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