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3DQT

Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004517molecular_functionnitric-oxide synthase activity
A0006809biological_processnitric oxide biosynthetic process
A0020037molecular_functionheme binding
B0004517molecular_functionnitric-oxide synthase activity
B0006809biological_processnitric oxide biosynthetic process
B0020037molecular_functionheme binding
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAC A 850
ChainResidue
ATRP324
ALEU328
ACYS384

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP358
ASER428

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CAC B 850
ChainResidue
BTYR83
BTRP324
BCYS384

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BVAL420
BSER428
BTRP358

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 900
ChainResidue
ACYS96
ACYS101
BCYS96
BCYS101

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM A 700
ChainResidue
ATRP180
ACYS186
AVAL187
ASER228
APHE355
ASER356
ATRP358
AGLU363
ATRP449
ATYR477
AH4B760
AJI7800
AHOH907

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER104
AARG367
AALA448
ATRP449
AHEM700
AGOL880
AHOH907
BTRP447
BPHE462
BGLN464
BGLU465

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE JI7 A 800
ChainResidue
AVAL106
AVAL338
APHE355
ATRP358
ATYR359
AGLU363
AHEM700
AHOH881
AHOH907
BTRP76

site_idAC9
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM B 700
ChainResidue
BTRP180
BARG185
BCYS186
BSER228
BMET341
BPHE355
BSER356
BTRP358
BGLU363
BTRP449
BTYR477
BH4B760
BJI7800

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP447
APHE462
AGLU465
BSER104
BVAL106
BARG367
BALA448
BTRP449
BHEM700
BGOL880
BHOH910

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE JI7 B 800
ChainResidue
ATRP76
BLEU107
BGLN249
BPHE355
BTRP358
BTYR359
BGLU363
BTYR477
BHEM700
BHOH901

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AVAL106
AARG367
AHIS373
AH4B760
BTRP76

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
ATRP76
BARG367
BHIS373
BH4B760

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 2024-04-24

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