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3JWY

Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride

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 Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
APHE475
ATYR477
AH4B600
AJ11800
AHOH1073
AHOH1090
AARG185
ACYS186
ASER228
AMET341
APHE355
ASER356
ATRP358
AGLU363

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH1055
AHOH1073
BTRP447
BPHE462
BHOH1142

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428
AHOH1078
AHOH1091
AHOH1130

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
ATRP449
AH4B600
AHOH1082
BHOH1142

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE J11 A 800
ChainResidue
APHE355
AGLY357
ATRP358
ATYR359
AGLU363
ATYR477
AHEM500
AHOH1210

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ATRP324
ACYS384
AGLN437
ALYS438
AGLY441

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

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BMET360
BTRP449
BPHE475
BTYR477
BH4B600
BJ11800
BHOH1070
BHOH1079

site_idAC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH1079
BHOH1090
BHOH1148

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BGLY188
BTRP358
BVAL420
BSER428
BHOH1121
BHOH1132
BHOH1171

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
BVAL106
BARG367
BHIS373
BTRP449
BH4B600
BHOH1148
BHOH1183

site_idBC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE J11 B 800
ChainResidue
BPHE355
BGLY357
BTRP358
BTYR359
BGLU363
BTYR477
BHEM500
BHOH1000
ATRP76
BLEU107
BPRO336

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAD B 950
ChainResidue
BTYR83
BTRP324
BCYS384

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 2024-07-24

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