Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 2zif Chain B Binding Site BS01

Receptor Information >2zif Chain B (length=243) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VHRLHVGDAREVLASFPEASVHLVVTSPPYWTLGHIEDYEAFLDELDRVW REVFRLLVPGGRLVIVVGDVAVARRRFGRHLVFPLHADIQVRCRKLGFDN LNPIIWHKHTPYEPGAIIKTEIEYILMQRKPGGYRKPTQEQREKSRLPKE DFHRFFRQIWDDIPGEAPFPLELAERLVRMFSFVGDVVLDPFAGTGTTLI AAARWGRRALGVELVPRYAQLAKERFAREVPGFSLEVLDGATH

Ligand information Ligand ID SAM InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 InChIKey MEFKEPWMEQBLKI-FCKMPRQPSA-N SMILES Software SMILES CACTVS 3.341 C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 OpenEye OEToolkits 1.5.0 C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O CACTVS 3.341 C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 OpenEye OEToolkits 1.5.0 C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ACDLabs 10.04 [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O Formula C15 H22 N6 O5 S Name S-ADENOSYLMETHIONINE ChEMBL CHEMBL1235831 DrugBank ZINC PDB chain 2zif Chain B Residue 298 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2zif Crystal structure of a putative DNA methylase TTHA0409 from Thermus thermophilus HB8 Resolution 2.4 Å Binding residue (original residue number in PDB) D28 A29 S47 P48 P49 P219 F220 F243 A244 G245 T246 T248 E264 L265 Binding residue (residue number reindexed from 1) D8 A9 S27 P28 P29 P168 F169 F192 A193 G194 T195 T197 E213 L214 Annotation score 5 Binding affinity MOAD: Kd=43uM

Enzymatic activity Catalytic site (original residue number in PDB) S47 P48 V96 Catalytic site (residue number reindexed from 1) S27 P28 V66 Enzyme Commision number 2.1.1.- 2.1.1.113: site-specific DNA-methyltransferase (cytosine-N(4)-specific).

Gene Ontology Molecular Function GO:0003677 DNA binding GO:0008168 methyltransferase activity GO:0008170 N-methyltransferase activity GO:0015667 site-specific DNA-methyltransferase (cytosine-N4-specific) activity

	Biological Process
GO:0009307	DNA restriction-modification system
GO:0032259	methylation

	Cellular Component
GO:0005737	cytoplasm

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component