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3EAH

Structure of inhibited human eNOS oxygenase domain

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 Residues11
DetailsBINDING SITE FOR RESIDUE HEC A 861
ChainResidue
ATRP144
A327864
AMPD1866
AARG149
ACYS150
AVAL151
APHE319
ATRP322
ATRP413
APHE439
ATYR441

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 862
ChainResidue
ACYS63
ACYS68
BCYS63
BCYS68

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 327 A 864
ChainResidue
AGLN213
APRO300
AVAL302
ASER320
AGLY321
ATRP322
AGLU327
AHEC861
ACL1865

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MPD A 866
ChainResidue
ATRP411
APHE426
AHIS427
AGLN428
BSER71
BVAL73
BALA412
BTRP413

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A1865
ChainResidue
ATYR323
AASN332
A327864

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD A1866
ChainResidue
AGLY152
ATRP322
AVAL384
ASER392
AHEC861

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MPD A1867
ChainResidue
AVAL73
AALA412
ATRP413
BPHE426
BHIS427

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 865
ChainResidue
BTYR323
BASN332
B3271864

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MPD B 867
ChainResidue
BILE154
BTRP322
BVAL384
BALA389
BSER392
BHEC1861

site_idBC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEC B1861
ChainResidue
BTRP144
BARG149
BCYS150
BVAL151
BPHE319
BTRP322
BMET324
BTRP413
BPHE439
BTYR441
BMPD867
B3271864
BHOH1925

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 327 B1864
ChainResidue
BGLN213
BPRO300
BVAL302
BSER320
BGLY321
BTRP322
BGLU327
BCL865
BHEC1861

Functional Information from PROSITE/UniProt
site_idPS60001
Number of Residues8
DetailsNOS Nitric oxide synthase (NOS) signature. RCVGRIqW
ChainResidueDetails
AARG149-TRP156

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:18849972, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:1M9J, ECO:0007744|PDB:1M9K, ECO:0007744|PDB:1M9M, ECO:0007744|PDB:1M9Q, ECO:0007744|PDB:1M9R, ECO:0007744|PDB:3EAH, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P
ChainResidueDetails
ACYS63
ACYS68
BCYS63
BCYS68

site_idSWS_FT_FI2
Number of Residues20
DetailsBINDING: BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O
ChainResidueDetails
ASER71
ATYR441
BSER71
BGLN213
BTRP322
BTYR323
BGLU327
BASN332
BALA412
BTRP413
BPHE426
AGLN213
BTYR441
ATRP322
ATYR323
AGLU327
AASN332
AALA412
ATRP413
APHE426

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1O
ChainResidueDetails
ACYS150
BCYS150

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:10074942, ECO:0000269|PubMed:25286850, ECO:0007744|PDB:3NOS, ECO:0007744|PDB:4D1O, ECO:0007744|PDB:4D1P
ChainResidueDetails
AARG331
BARG331

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphoserine; by CDK5 => ECO:0000269|PubMed:20213743
ChainResidueDetails
ASER74
BSER75

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
ATRP322
ACYS150
AGLU327
AARG153

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 3nos
ChainResidueDetails
BTRP322
BCYS150
BGLU327
BARG153

site_idMCSA1
Number of Residues4
DetailsM-CSA 935
ChainResidueDetails
ACYS150metal ligand
AARG153steric role
ATRP322electrostatic stabiliser
AGLU327electrostatic stabiliser

site_idMCSA2
Number of Residues4
DetailsM-CSA 935
ChainResidueDetails
BCYS150metal ligand
BARG153steric role
BTRP322electrostatic stabiliser
BGLU327electrostatic stabiliser

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PDB entries from 2024-07-24

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