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4CX3

Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-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 Residues19
DetailsBINDING SITE FOR RESIDUE HEM A 750
ChainResidue
ATRP409
AMET589
AGLU592
APHE704
AH4B760
AHW8800
AACT860
AHOH2136
AHOH2192
AHOH2193
AHOH2194
AARG414
ACYS415
AVAL416
ASER457
APHE584
ASER585
AGLY586
ATRP587

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE H4B A 760
ChainResidue
ASER334
AARG596
AVAL677
ATRP678
AHEM750
AHW8800
AGOL880
AHOH2015
AHOH2147
AHOH2178
AHOH2192
BTRP676
BPHE691
BHIS692
BGLU694

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HW8 A 800
ChainResidue
AVAL336
ALEU337
AARG414
AGLN478
ATRP587
AGLU592
ATYR706
AHEM750
AH4B760
AGOL880
AHOH2100
AHOH2108
AHOH2136
AHOH2192

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 860
ChainResidue
ATRP587
AVAL649
AHEM750
AHOH2195

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 880
ChainResidue
AARG596
AH4B760
AHW8800
AHOH2147
AHOH2196
BTRP306

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM B 750
ChainResidue
BTRP409
BCYS415
BSER457
BPHE584
BSER585
BTRP587
BGLU592
BH4B760
BHW8800
BHOH2182
BHOH2229
BHOH2230
BHOH2231

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 760
ChainResidue
ATRP676
APHE691
AHIS692
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM750
BGOL880
BHOH2014
BHOH2222
BHOH2230

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HW8 B 800
ChainResidue
BVAL336
BLEU337
BARG414
BGLN478
BPRO565
BVAL567
BTRP587
BGLU592
BTYR706
BHEM750
BGOL880
BHOH2127
BHOH2230

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 860
ChainResidue
BHOH2054
BHOH2058
BHOH2211
BHOH2232
BTRP587
BVAL649

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 880
ChainResidue
BARG596
BH4B760
BHW8800

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 900
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

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 2024-11-06

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