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3RQL

Structure of the neuronal 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 Residues15
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
ATRP678
APHE704
AH4B760
AX2D800
AHOH1002
AHOH1038
ACYS415
AVAL416
ASER457
AMET570
APHE584
ASER585
AGLY586
ATRP587

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AX2D800
AHOH1013
AHOH1021
AHOH1064
AHOH1117
BTRP676
BPHE691
BHIS692
BGLU694

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
ASER657
AHOH1124

site_idAC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE X2D A 800
ChainResidue
AMET336
AARG414
AGLN478
APRO565
AVAL567
APHE584
AGLY586
ATRP587
AGLU592
ATRP678
ATYR706
AHEM750
AH4B760
AHOH1004
AHOH1054
BTRP306

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BVAL416
BSER457
BMET570
BPHE584
BSER585
BGLY586
BTRP587
BGLU592
BTRP678
BPHE704
BH4B760
BX2D800
BHOH1025
BHOH1045
BHOH1161
BHOH1162

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BX2D800
BHOH1109
BHOH1110
BHOH1127

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE X2D B 800
ChainResidue
ATRP306
BMET336
BARG414
BGLN478
BVAL567
BGLY586
BTRP587
BGLU592
BTRP678
BTYR706
BHEM750
BH4B760
BHOH1004
BHOH1152
BHOH1162

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BTRP587
BVAL649
BHOH1052
BHOH1086
BHOH1131

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG414-TRP421

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ASER334
BSER334
BGLN478
BTRP587
BTYR588
BGLU592
BVAL677
BTRP678
BPHE691
BTYR706
AGLN478
ATRP587
ATYR588
AGLU592
AVAL677
ATRP678
APHE691
ATYR706

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000250|UniProtKB:P29475
ChainResidueDetails
ACYS415
BCYS415

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PDB entries from 2024-07-17

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