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3JWZ

Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,4' R)-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 Residues16
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
ATRP449
APHE475
ATYR477
AH4B600
AJ14800
AHOH1055
AHOH1069
AARG185
ACYS186
ASER228
AMET341
APHE355
ASER356
ATRP358
AGLU363

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AGOL880
AHOH1048
AHOH1055
AHOH1097
BTRP447
BPHE462
BHIS463
BGLN464

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
AVAL420
ASER428
AHOH1131
AHOH1156

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
AJ14800
AHOH1093

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE J14 A 800
ChainResidue
AGLN249
APRO336
AVAL338
APHE355
ASER356
AGLY357
ATRP358
AGLU363
ATRP449
ATYR477
AHEM500
AGOL880
AHOH1081
BTRP76

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ACYS384
AGLN437
ALYS438

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BMET341
BPHE355
BSER356
BTRP358
BMET360
BGLU363
BTRP449
BTYR477
BH4B600
BJ14800
BHOH1047
BHOH1071

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
BSER104
BARG367
BALA448
BTRP449
BHEM500
BGOL880
BHOH1068
BHOH1071
BHOH1110

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BGLY188
BTRP358
BVAL420
BSER428
BHOH1124

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
BARG367
BHIS373
BH4B600
BHOH1068
BHOH1073
BHOH1103

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE J14 B 800
ChainResidue
BGLY357
BTRP358
BTYR359
BGLU363
BHEM500
BVAL106
BLEU107
BGLN249
BVAL338
BPHE355

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CAD B 950
ChainResidue
BTYR83
BCYS384

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 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 2024-07-24

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