Table 1 Showing Procarb40 dataset. (Some cells are left empty as no Pfam ID could be found for them).
PDB ID | Pfam ID | Ligand name | Ligand formula | Ligand ID |
|---|---|---|---|---|
1A7C | Serpins | ALPHA-D-MANNOSE N-ACETYL-D-GALACTOSAMINE N-METHYLCARBONYLTHREONINE | C6 H12 O6 3(C8 H15 N1 O6) 2(C6 H11 N1 O4) | MAN NGA THC |
1AU1 | Interferon | ZINC ION FUCOSE GLUCOSE D-GALACTOSE ALPHA-D-MANNOSE | ZN1 2+ 2(C6 H12 O6) 4(C6 H12 O6) C6 H12 O6 2(C1 H12 O6) | ZN FUC GLC GAL MAN |
1AXM | Fibroblast Growth Factors | SELENOMETHIONINE O2-SULFO-GLUCURONIC ACID N,O6-DISULFO-GLUCOSAMINE | 6(C5 H11 N1 O2 SE1) 7(C6 H10 O10 S1) 8(C6 H13 N1 O11 S2) | MSE IDS SGN |
1CVN | Lectin legB | CALCIUM ION MANGANESE (II) ION ALPHA-D-MANNOSE | 4(CA1 2+) 4(MN1 2+) 12(C1 H12 O6) | CA MN MAN |
1E6N | CBM_5_12 Glycol_hydro_18 | GLYCEROL SULFATE ION N-ACETYL-D-GLUCOSAMINE | C3 H8 O3 12(O4 S1 2-) 10(C8 H15 N1 O6) | GOL SO4 NAG |
1FV3 | Toxin_R_bind_C Toxin_R_bind_N Toxin_trans | GLUCOSE PHOSPHATE ION D-GALACTOSE ETHYL-TRIMETHYL-SILANE N-ACETYL-D-GALACTOSAMINE 5-N-ACETYL-BETA-D-NEURAMINIC ACID 5-N-ACETYL-ALPHA-D-NEURAMINIC ACID | 2(C6 H12 O6) O4 P1 3- 4(C6 H12 O6) 2(C5 H14 SI1) 2(C8 H15 N1 O6) 2(C11 H19 N1 O9) 4(C11 H19 N1 O9) | GLC PO4 GAL CEQ NGA SLB NAN |
1FWU | Ricin_B_lectin | FUCOSE O3-SULFONYLGALACTOSE ALPHA-METHYL-N-ACETYL-D-GLUCOSAMINE | C6 H12 O5 C6 H12 O9 S1 C9 H17 N1 O6 | FUC SGA MAG |
1G1T | EGF Lectin C | FUCOSE CALCIUM ION D-GALACTOSE O-SIALIC ACID N-ACETYL-O-METHYL-D-GLUCOSAMINE | C6 H12 O5 CA1 2+ C6 H12 O6 C11 H19 N1 O9 C9 H17 N1 O6 | FUC CA GAL SIA 1NA |
1G5N | Annexin | CALCIUM ION N,O6-DISULFO-GLUCOSAMINE 1,4-DIDEOXY-O2-SULFO-GLUCURONIC ACID 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID | 9(CA1 2+) 4(C6 H13 N1 O11 S2) 2(C6 H10 O8 S1) 2(C6 H8 O8 S1) | CA SGN IDU UAP |
1GMN | Kringle PAN | O2-SULFO-GLUCURONIC ACID N,O6-DISULFO-GLUCOSAMINE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | 3(C6 H10 O10 S1) 2(C6 H13 N1 O11 S2) 2(C8 H18 N2 O4 S1) | IDS SGN EPE |
1GUI | CBM4/9 | CALCIUM ION GLYCEROL BETA-D-GLUCOSE | CA1 2+ 5(C3 H8 O3) 6(C6 H12 O6) | CA GOL BGC |
1GWM | Family 29 carbohydrate binding module | GLUCOSE COBALT (II) ION 1,2-ETHANEDIOL BETA-D-GLUCOSE | C6 H14 O6 CO1 2+ 8(C2 H6 O2) 5(C6 H12 O6) | GLC CO EDO BGC |
1IW6 | Bac_rhodopsin | GLUCOSE RETINAL D-GALACTOSE ALPHA-D-MANNOSE 2,3-DI-PHYTANYL-GLYCEROL 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE | C6 H12 O6 C20 H28 O1 C6 H12 O6 C6 H12 O6 C43 H88 O3 4(C46 H94 O11 P2 2-) | GLC RET GAL MAN L2P L3P |
1J8R | PapG _N | GLUCOSE D-GALACTOSE N-ACETYL-D-GLUCOSAMINE SELENOMETHIONINE | C6 H12 O6 2(C6 H12 O6) C8 H15 N1 O6 3(C5 H11 N1 O2 SE1) | GLC GAL NAG MSE |
1JPC | B_lectin D-mannose binding lectin | ALPHA-D-MANNOSE | 8(C1 H12 O6) | MAN |
1LGB | Lectin_legB Transferrin | FUCOSE CALCIUM ION D-GALACTOSE MANGANESE (II) ION ALPHA-D-MANNOSE N-ACETYL-D-GLUCOSAMINE | C6 H12 O6 CA1 2+ C6 H12 O6 MN1 2+ 3(C1 H12 O6) 4(C8 H15 N1 O6) | FUC CA GAL MN MAN NAG |
1M5J | Â | ALPHA-D-MANNOSE O1-PENTYL-MANNOSE 2- [N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | 8(C6 H12 O6) C11 H22 O6 C8 H17 N1 O3 S1 | MAN OPM NHE |
1OH4 | Â | CALCIUM ION GLYCEROL SULFATE ION BETA-D-MANNOSE ALPHA D-GALACTOSE | CA1 2+ 2(C3 H8 O3) O4 S1 2- 5(C6 H12 O6) 2(C6 H12 O6) | CA GOL SO4 BMA GLA |
1Q8V | Lectin_legB | CALCIUM ION MANGANESE (II) ION ALPHA-D-MANNOSE PYROGLUTAMIC ACID | 2(CA1 2+) 2(MN1 2+) 5(C6 H12 O6) 2(C5 H7 N1 O3) | CA MN MAN PCA |
1QFO | V-set | GLUCOSE D-GALACTOSE O-SIALIC ACID | 2(C6 H12 O6) 2(C6 H12 O6) 3(C11 H19 N1 O9) | GLC GAL SIA |
1RID | Sushi | O2-SULFO-GLUCURONIC ACID N,O6-DISULFO-GLUCOSAMINE | 8(C6 H10 O10 S1) 8(C6 H13 N1 O11 S2) | IDS SGN |
1SE3 | Stap_Strp_tox_C Stap_Strp_toxin | GLUCOSE D-GALACTOSE O-SIALIC ACID | C6 H12 O6 C6 H12 O6 C11 H19 N1 O9 | GLC GAL SIA |
1SL4 | Lectin_C | CALCIUM ION ALPHA-D-MANNOSE | 3(CA1 2+) 4(C6 H12 O6) | CA MAN |
1SLC | Gal-bind_lectin | D-GALACTOSE ALPHA-D-MANNOSE N-ACETYL-D-GLUCOSAMINE | 4(C6 H12 O6) 6(C1 H12 O6) 6(C8 H15 N1 O6) | GAL MAN NAG |
1T0W | Chitin_bind_1 | AMINO GROUP N-ACETYL-D-GLUCOSAMINE | H2 N1 3(C8 H15 N1 O6) | NH2 NAG |
1T8U | Sulfotransfer_1 | SODIUM ION SULFATE ION O2-SULFO-GLUCURONIC ACID N,O6-DISULFO-GLUCOSAMINE ADENOSINE-3'-5'-DIPHOSPHATE 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID | 2(NA1 1+) O4 S1 2- C6 H10 O10 S1 2(C6 H13 N1 O11 S2) 2(C10 H15 N5 O10 P2) C6 H8 O8 S1 | NA SO4 IDS SGN A3P UAP |
1ULE | Â | D-GALACTOSE N-ACETYL-D-GLUCOSAMINE | 4(C6 H12 O6) 2(C8 H15 N1 O6) | GAL NAG |
1UX7 | CBM_6 | CALCIUM ION SULFATE ION BETA-D-XYLOPYRANOSE | 2(CA1 2+) O4 S1 2- 3(C5 H10 O5) | CA SO4 XYP |
1UY4 | Â | SODIUM ION CALCIUM ION GLYCEROL BETA-D-XYLOPYRANOSE | NA1 1+ CA1 2+ C3 H8 O3 4(C5 H10 O5) | NA CA GOL XYP |
1UYY | CBM_6 | CALCIUM ION BETA-D-GLUCOSE | 4(CA1 2+) 7(C6 H12 O6) | CA BGC |
1VBO | Â | ALPHA-D-MANNOSE N-ACETYLALANINE | 20(C6 H12 O6) 8(C5 H9 N1 O3) | MAN AYA |
1VPS | Polyoma Coat | D-GALACTOSE O-SIALIC ACID N-ACETYL-D-GLUCOSAMINE | 5(C6 H12 O6) 10(C11 H19 N1 O9) 5(C8 H15 N1 O6) | GAL SIA NAG |
1W9T | CBM_6 | SODIUM ION XYLOPYRANOSE BETA-D-XYLOPYRANOSE | 6(NA1 1+) 2(C5 H10 O5) 8(C5 H10 O5) | NA XYS XYP |
1XT3 | Toxin_1 | CITRIC ACID N,O6-DISULFO-GLUCOSAMINE 1,4-DIDEOXY-O2-SULFO-GLUCURONIC ACID | C6 H8 O7 3(C6 H13 N1 O11 S2) 3(C6 H10 O8 S1) | CIT SGN IDU |
2BOS | SLT beta | BUTYL GROUP GLUCOSE D-GALACTOSE | 3(C4 H9) 5(C6 H12 O6) 14(C6 H12 O6) | BUT GLC GAL |
2FCP | Plug TonB_dep_Rec | GLUCOSE PHOSPHATE ION D-GALACTOSE NICKEL (II) ION 3-OXO-BUTYRIC ACID 3-OXO-PENTADECANOIC ACID GLUCOSAMINE 1-PHOSPHATE GLUCOSAMINE 4-PHOSPHATE ETHANOL AMINE PYROPHOSPHATE L-GLYCERO-D-MANNO-HEPTOPYRANOSE 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID 2-TRIDECANOYLOXY-PENTADECANOIC ACID | C6 H12 O6 O4 P1 3- 2(C6 H12 O6) 2(NI1 2+) C4 H6 O3 C15 H28 O3 C6 H14 N1 O8 P1 C6 H14 N1 O8 P1 C2 H9 N1 O7 P2 2(C7 H14 O7) 2(C8 H14 O8) 2(C28 H54 O4) | GLC PO4 GAL NI LIN LIM GP1 GP4 EA2 GMH KDO LIL |
2MPR | LamB | GLUCOSE CALCIUM ION | C6 H12 O6 Ca 2+ | GLC CA |
3CHB | Enterotoxin b | GLUCOSE D-GALACTOSE O-SIALIC ACID N-ACETYL-D-GALACTOSAMINE N-(EHTYLSULFITE)MORPHOLINE | 5(C6 H12 O6) 10(C6 H12 O6) 5(C11 H19 N1 O9) 5(C8 H15 N1 O6) 2(C6 H14 N1 O4 S1) | GLC GAL SIA NGA MES |
3MAN | Cellulase | ALPHA-D-MANNOSE | 3(C6 H12 O6) | MAN |
3MBP | Â | GLUCOSE | 3(C6 H12 O6) | GLC |