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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

1HX9

CRYSTAL STRUCTURE OF TEAS W273S FORM 1

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0005737cellular_componentcytoplasm
A0008299biological_processisoprenoid biosynthetic process
A0010333molecular_functionterpene synthase activity
A0016102biological_processditerpenoid biosynthetic process
A0016114biological_processterpenoid biosynthetic process
A0016829molecular_functionlyase activity
A0016838molecular_functioncarbon-oxygen lyase activity, acting on phosphates
A0046246biological_processterpene biosynthetic process
A0046872molecular_functionmetal ion binding
A0051762biological_processsesquiterpene biosynthetic process
A0102698molecular_function5-epi-aristolochene synthase activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 757
ChainResidue
AARG441
AASP444
ATHR448
AGLU452
AFHP900
site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 758
ChainResidue
AASP301
AASP305
AGLU379
site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE FHP A 900
ChainResidue
AASP301
ATHR403
ATYR404
AGLU452
ATYR520
ATYR527
AMG757
AARG264
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsMotif: {"description":"DDXXD motif","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"MAR-2016","submissionDatabase":"PDB data bank","title":"Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme.","authors":["Koo H.J.","Louie G.V.","Xu Y.","Bowman M.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"JAN-2012","submissionDatabase":"PDB data bank","title":"Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline.","authors":["Noel J.P.","Starks C.","Crenshaw C.M."]}},{"source":"PDB","id":"3LZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M00","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DI5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IL8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILY","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26378620","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3LZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M00","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DHI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26378620","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1HXA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M00","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DHI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DHK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI5
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"MAR-2016","submissionDatabase":"PDB data bank","title":"Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme.","authors":["Koo H.J.","Louie G.V.","Xu Y.","Bowman M.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"JAN-2001","submissionDatabase":"PDB data bank","title":"Single active site mutations change the specificity of a sesquiterpene cyclase.","authors":["Starks C.S.","Rising K.A.","Chappell J.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"JAN-2012","submissionDatabase":"PDB data bank","title":"Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline.","authors":["Noel J.P.","Starks C.","Crenshaw C.M."]}},{"source":"PDB","id":"1HXA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HXC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DI5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IL3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILY","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI6
Number of Residues2
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26378620","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2016","submissionDatabase":"PDB data bank","title":"Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme.","authors":["Koo H.J.","Louie G.V.","Xu Y.","Bowman M.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2001","submissionDatabase":"PDB data bank","title":"Single active site mutations change the specificity of a sesquiterpene cyclase.","authors":["Starks C.S.","Rising K.A.","Chappell J.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2012","submissionDatabase":"PDB data bank","title":"Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline.","authors":["Noel J.P.","Starks C.","Crenshaw C.M."]}},{"source":"PDB","id":"1HX9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HXA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M00","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DI5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DHI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IL3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILY","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI7
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2016","submissionDatabase":"PDB data bank","title":"Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme.","authors":["Koo H.J.","Louie G.V.","Xu Y.","Bowman M.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2012","submissionDatabase":"PDB data bank","title":"Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline.","authors":["Noel J.P.","Starks C.","Crenshaw C.M."]}},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DI5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILD","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI8
Number of Residues1
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20175559","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25897591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26378620","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27328867","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9295271","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2016","submissionDatabase":"PDB data bank","title":"Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme.","authors":["Koo H.J.","Louie G.V.","Xu Y.","Bowman M.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2001","submissionDatabase":"PDB data bank","title":"Single active site mutations change the specificity of a sesquiterpene cyclase.","authors":["Starks C.S.","Rising K.A.","Chappell J.","Noel J.P."]}},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2012","submissionDatabase":"PDB data bank","title":"Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline.","authors":["Noel J.P.","Starks C.","Crenshaw C.M."]}},{"source":"PDB","id":"1HX9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HXA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LZ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M00","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M01","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3M02","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DI5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DHI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IK9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IKH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5ILY","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
Catalytic Information from CSA
site_idCSA1
Number of Residues10
DetailsAnnotated By Reference To The Literature 5eat
ChainResidueDetails
AARG441
ATHR402
ATHR401
ATHR403
ATYR527
ASER273
AARG264
AASP525
AASP444
ATYR520
site_idMCSA1
Number of Residues10
DetailsM-CSA 265
ChainResidueDetails
AARG264electrostatic stabiliser, hydrogen bond donor, promote heterolysis
ATYR527electrostatic stabiliser, polar interaction
ASER273electrostatic stabiliser, hydrogen bond donor, polar interaction, proton acceptor, proton donor
ATHR401electrostatic stabiliser, polar interaction
ATHR402electrostatic stabiliser, polar interaction
ATHR403electrostatic stabiliser, polar interaction
AARG441electrostatic stabiliser, hydrogen bond donor, promote heterolysis
AASP444hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ATYR520hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
AASP525hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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