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4CWW

Structure of bovine endothelial nitric oxide synthase 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 Residues10
DetailsBINDING SITE FOR RESIDUE CAS A 384
ChainResidue
ATRP324
AGLY441
AASP380
AVAL381
AALA382
AVAL383
AMET385
AASP386
AGLN437
ALYS438

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE HEM A 500
ChainResidue
ATRP180
AARG185
ACYS186
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449
ATYR477
AH4B600
AHW9800
AHOH2128
AHOH2182
AHOH2185
AHOH2186

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 600
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM500
AHW9800
AHOH2030
AHOH2132
AHOH2135
AHOH2166
AHOH2186
BTRP447
BPHE462
BHIS463
BGLN464

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE HW9 A 800
ChainResidue
AASN340
AMET341
APHE355
AGLY357
ATRP358
AGLU363
ATYR477
AHEM500
AH4B600
AHOH2186

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AGLY188
ATRP358
AVAL420
ASER428

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 861
ChainResidue
AARG252
AASN368
AARG374
AHOH2095
AHOH2138

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CAS B 384
ChainResidue
BTYR83
BTRP324
BASP380
BVAL381
BALA382
BVAL383
BMET385
BASP386

site_idAC8
Number of Residues17
DetailsBINDING SITE FOR RESIDUE HEM B 500
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BPHE355
BSER356
BTRP358
BMET360
BGLU363
BTRP449
BTYR477
BH4B600
BHW9800
BHOH2105
BHOH2136
BHOH2138
BHOH2139

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 600
ChainResidue
ATRP447
APHE462
AHOH2174
BSER104
BARG367
BALA448
BTRP449
BHEM500
BHOH2020
BHOH2106
BHOH2129
BHOH2138

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE HW9 B 800
ChainResidue
BMET341
BGLY357
BTRP358
BGLU363
BTYR477
BHEM500
BHOH2138
BHOH2140
BVAL338
BASN340

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP358
BVAL420
BSER428

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 861
ChainResidue
BARG252
BASN368
BARG374
BHOH2075
BHOH2141

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 1483
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 2024-09-04

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