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4CX1

Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-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
APHE475
ATYR477
AH2B600
AHW9800
AHOH2146
AHOH2206
AHOH2207
AHOH2208
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H2B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AHOH2031
AHOH2151
AHOH2191
AHOH2207
BTRP447
BPHE462
BHIS463
BGLN464
BGLU465

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE HW9 A 800
ChainResidue
APRO336
AVAL338
AASN340
AMET341
AGLY357
ATRP358
AGLU363
ATYR477
AHEM500
AHOH2207

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
ASER428
AHOH2209

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AARG252
AASN368
AARG374
AHOH2103
AHOH2157

site_idAC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BVAL187
BGLY188
BSER228
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH2B600
BHW9800
BHOH2112
BHOH2148
BHOH2151
BHOH2152

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H2B B 600
ChainResidue
ATRP447
APHE462
AHOH2197
BSER104
BARG367
BALA448
BTRP449
BHEM500
BHW9800
BHOH2018
BHOH2113
BHOH2140
BHOH2151

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE HW9 B 800
ChainResidue
BPRO336
BVAL338
BASN340
BMET341
BGLY357
BTRP358
BGLU363
BTYR477
BHEM500
BH2B600
BHOH2151
BHOH2153

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428
BHOH2047

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG374
BHOH2081
BARG252
BASN368

site_idBC2
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 2024-06-19

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