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3RQO

Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-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 Residues11
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AHOH1067
AHOH1143
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
AH4B600
AX2D800

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AX2D800
AGOL880
AHOH1025
AHOH1059
BTRP447
BPHE462
BGLN464
BGLU465
BHOH1138

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE X2D A 800
ChainResidue
AVAL106
AARG185
AGLN249
APRO336
APHE355
AGLY357
ATRP358
AGLU363
ATRP449
ATYR477
AHEM500
AH4B600
AGOL880
AHOH1057

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
ASER428
AHOH1153

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG367
AHIS373
AH4B600
AX2D800
BTRP76
BHOH1138

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CAD A 950
ChainResidue
ATRP324
ACYS384

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
BSER228
BMET341
BPHE355
BSER356
BGLY357
BTRP358
BGLU363
BPHE475
BH4B600
BX2D800
BHOH1161
BHOH1186
BHOH1202

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
BSER104
BARG367
BALA448
BTRP449
BHEM500
BX2D800
BGOL880
BHOH1028
BHOH1090
BHOH1132

site_idBC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE X2D B 800
ChainResidue
BVAL106
BARG185
BGLN249
BVAL338
BPHE355
BGLY357
BTRP358
BGLU363
BTRP449
BTYR477
BHEM500
BH4B600
BHOH1055
BHOH1202

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BHOH1123
BHOH1128
BHOH1141
BGLY188
BTRP358
BSER428

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
ATRP76
BVAL106
BARG367
BHIS373
BH4B600
BHOH1028

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
ATRP358
ATYR359
AGLU363
AASN368
AALA448
ATRP449
APHE462
ATYR477
BSER104
BGLN249
BTRP358
BTYR359
BGLU363
BASN368
BALA448
BTRP449
BPHE462
BTYR477
ASER104
AGLN249

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

218500

數據於2024-04-17公開中

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