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3RQK

Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer

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 Residues14
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
APHE704
AH4B760
AX2C800
AHOH1008
AHOH1014
ACYS415
AVAL416
ASER457
AMET570
APHE584
ASER585
ATRP587
ATRP678

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AX2C800
AHOH1004
AHOH1016
BTRP676
BPHE691
BHIS692

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE X2C A 800
ChainResidue
AMET336
AARG414
AGLN478
APRO565
AVAL567
ATRP587
AGLU592
ATRP678
ATYR706
AHEM750
AH4B760
BTRP306

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
AILE419
ATRP587
AVAL649
AALA654
AHOH1066

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

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BSER457
BMET570
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BPHE704
BH4B760
BX2C800
BHOH1005

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BX2C800
BHOH1053

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE X2C B 800
ChainResidue
ATRP306
BMET336
BARG414
BGLN478
BVAL567
BTRP587
BGLU592
BTRP678
BTYR706
BHEM750
BH4B760

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BILE419
BTRP587
BSER657

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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