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4KCK

Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide

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 801
ChainResidue
ATRP409
ATYR706
AH4B802
AH45803
AACT804
AHOH913
AHOH920
AARG414
ACYS415
APHE584
ASER585
ATRP587
AGLU592
ATRP678
APHE704

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B A 802
ChainResidue
ASER334
AMET336
AARG596
AVAL677
ATRP678
AHEM801
AHOH902
AHOH913
AHOH931
BTRP676
BPHE691
BHIS692
BGLU694

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE H45 A 803
ChainResidue
APRO565
AVAL567
APHE584
ASER585
AGLY586
ATRP587
AGLU592
ASER602
AHEM801
BTRP306

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 804
ChainResidue
AILE419
ATRP587
AHEM801

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 805
ChainResidue
ACYS326
ACYS331
BCYS326
BCYS331

site_idAC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HEM B 801
ChainResidue
BTRP409
BARG414
BCYS415
BPHE584
BSER585
BTRP587
BGLU592
BTRP678
BPHE704
BTYR706
BH4B802
BH45803
BHOH970
BHOH983

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE H4B B 802
ChainResidue
ATRP676
APHE691
AHIS692
AGLN693
AGLU694
BSER334
BARG596
BVAL677
BTRP678
BHEM801
BHOH909
BHOH942
BHOH970

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE H45 B 803
ChainResidue
ATRP306
BPRO565
BVAL567
BPHE584
BSER585
BGLY586
BTRP587
BGLU592
BTRP678
BTYR706
BHEM801

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT B 804
ChainResidue
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
ATRP587
ATYR588
AGLU592
AVAL677
ATRP678
APHE691
ATYR706
BSER334
BGLN478
BTRP587
BTYR588
BGLU592
BVAL677
BTRP678
BPHE691
BTYR706
ASER334
AGLN478

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 2024-06-12

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