Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
NHE | | CHES | 2d0t | A | A260 G262 | NHE | | CHES | 2d0t | B | A260 G262 | NHE | | CHES | 2d0u | B | A260 G262 | PIM | | 4-PHENYLIMIDAZOLE | 4u74 | A | F163 | PIM | | 4-PHENYLIMIDAZOLE | 4u74 | B | F163 | HEM | | HEME B | 4pk6 | A | F163 F270 | HEM | | HEME B | 4pk6 | B | F163 F270 | HEM | | HEME B | 5ek2 | A | F163 F270 | HEM | | HEME B | 2d0t | A | F163 F270 I354 | HEM | | HEME B | 2d0t | B | F163 F270 I354 | HEM | | HEME B | 2d0u | A | F163 F270 I354 | HEM | | HEME B | 2d0u | B | F163 F270 I354 | HEM | | HEME B | 4pk5 | A | F163 F270 I354 | HEM | | HEME B | 4pk5 | B | F163 F270 I354 | HEM | | HEME B | 4u72 | A | F163 F270 I354 | HEM | | HEME B | 4u72 | B | F163 F270 I354 | HEM | | HEME B | 4u74 | A | F163 F270 I354 | HEM | | HEME B | 4u74 | B | F163 F270 I354 | HEM | | HEME B | 5ek2 | B | F163 F270 I354 | HEM | | HEME B | 5ek3 | A | F163 F270 I354 | HEM | | HEME B | 5ek3 | B | F163 F270 I354 | HEM | | HEME B | 5ek4 | A | F163 F270 I354 | HEM | | HEME B | 5ek4 | B | F163 F270 I354 | PIM | | 4-PHENYLIMIDAZOLE | 2d0t | A | F163 G262 | PIM | | 4-PHENYLIMIDAZOLE | 2d0t | B | F163 G262 | PKL | | N-[2-(3-CHLOROPHENYL)ETHYL]-3-(4-METHYLPHENYL) IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXAMIDE | 4pk6 | A | F163 G262 | PIM | | 4-PHENYLIMIDAZOLE | 4u72 | A | F163 G262 | PIM | | 4-PHENYLIMIDAZOLE | 4u72 | B | F163 G262 | PKL | | N-[2-(3-CHLOROPHENYL)ETHYL]-3-(4-METHYLPHENYL) IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXAMIDE | 4pk6 | B | F163 R231 G262 | 5PJ | | 1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANONE | 5ek2 | B | F163 R231 G262 | 5PK | | (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANOL | 5ek3 | B | F163 R231 G262 | PKJ | | N-(1,3-BENZODIOXOL-5-YL)-2-{[5-(4-METHYLPHENYL)[1, 3]THIAZOLO[2,3-C][1,2,4]TRIAZOL-3- YL]SULFANYL}ACETAMIDE | 4pk5 | A | F163 R231 G262 I354 | PKJ | | N-(1,3-BENZODIOXOL-5-YL)-2-{[5-(4-METHYLPHENYL)[1, 3]THIAZOLO[2,3-C][1,2,4]TRIAZOL-3- YL]SULFANYL}ACETAMIDE | 4pk5 | B | F163 R231 G262 I354 | 5PJ | | 1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANONE | 5ek2 | A | F163 R231 G262 I354 | 5PK | | (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANOL | 5ek3 | A | F163 R231 G262 I354 | 5PF | | (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}- IMIDAZO[1,5-B]ISOINDOL-5-YL]ETHANOL | 5ek4 | A | F163 R231 G262 I354 | 5PF | | (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}- IMIDAZO[1,5-B]ISOINDOL-5-YL]ETHANOL | 5ek4 | B | F163 R231 G262 I354 | NHE | | CHES | 2d0u | A | G262 | NHE | | CHES | 2d0t | B | H287 | NHE | | CHES | 2d0t | A | I354 | NHE | | CHES | 2d0u | A | R231 H287 | NHE | | CHES | 2d0u | B | R231 H287 |
LBS | AA sequence | # species | Species |
A260 | DPKEFAGGSAG | 1 | Homo sapiens | A260 | --RIFSGGSNA | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | A260 | TPKMFSGGSAG | 1 | Mus musculus | A260 | TPKKFSGGSAG | 1 | Rattus norvegicus | A264 | FSGGSAGQSSI | 2 | Mus musculus, Rattus norvegicus | A264 | FAGGSAGQSSV | 1 | Homo sapiens | A264 | FSGGSNAQSSL | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | C129 | LSYADCVLANW | 2 | Mus musculus, Rattus norvegicus | C129 | LVYADCVLANW | 1 | Homo sapiens | C129 | ATYSSLVLWNF | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F163 | DCDKGFFLVSL | 2 | Mus musculus, Rattus norvegicus | F163 | DCSKGFFLVSL | 1 | Homo sapiens | F163 | VDESWFYLVSV | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F164 | CSKGFFLVSLL | 1 | Homo sapiens | F164 | DESWFYLVSVR | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F164 | CDKGFFLVSLL | 1 | Mus musculus | F164 | CDKGFFLVSLM | 1 | Rattus norvegicus | F214 | KAKEIFKRMRD | 2 | Mus musculus, Rattus norvegicus | F214 | KALQVFHQIHD | 1 | Homo sapiens | F214 | RLSKALMEMEL | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F226 | VDPDTFFHVLR | 2 | Mus musculus, Rattus norvegicus | F226 | VNPKAFFSVLR | 1 | Homo sapiens | F226 | CEPNVFYFKIR | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F227 | DPDTFFHVLRI | 2 | Mus musculus, Rattus norvegicus | F227 | NPKAFFSVLRI | 1 | Homo sapiens | F227 | EPNVFYFKIRP | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F270 | GQSSIFQSLDV | 2 | Mus musculus, Rattus norvegicus | F270 | GQSSVFQCFDV | 1 | Homo sapiens | F270 | AQSSLIQTLDI | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F291 | -----FLQEMR | 2 | Mus musculus, Rattus norvegicus | F291 | -----FLQDMR | 1 | Homo sapiens | F291 | DSKINYLDEMK | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F387 | TDLMNFLKTVR | 1 | Homo sapiens | F387 | TRLMPFLKQCR | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | F387 | TNPMTFLRSVK | 1 | Mus musculus | F387 | TDVMNFLRSVK | 1 | Rattus norvegicus | G236 | RIYLSGWKGNP | 2 | Homo sapiens, Rattus norvegicus | G236 | RPFLAGWTNMS | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | G236 | RIYLSGWKCSS | 1 | Mus musculus | G261 | PKEFAGGSAGQ | 1 | Homo sapiens | G261 | -RIFSGGSNAQ | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | G261 | PKMFSGGSAGQ | 1 | Mus musculus | G261 | PKKFSGGSAGQ | 1 | Rattus norvegicus | G262 | KEFAGGSAGQS | 1 | Homo sapiens | G262 | RIFSGGSNAQS | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | G262 | KMFSGGSAGQS | 1 | Mus musculus | G262 | KKFSGGSAGQS | 1 | Rattus norvegicus | G265 | SGGSAGQSSIF | 2 | Mus musculus, Rattus norvegicus | G265 | AGGSAGQSSVF | 1 | Homo sapiens | G265 | SGGSNAQSSLI | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | H287 | TAGGGHAAQ-- | 1 | Homo sapiens | H287 | TANAAHSSQGD | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | H287 | EAGKESPAE-- | 1 | Mus musculus | H287 | DVGEGSAAE-- | 1 | Rattus norvegicus | H346 | SLRSYHLQIVT | 1 | Homo sapiens | H346 | IFRDNHIQIVT | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | H346 | SVRKFHLAIVD | 1 | Mus musculus | H346 | SLRMFHLSIVD | 1 | Rattus norvegicus | I217 | EIFKRMRDFVD | 2 | Mus musculus, Rattus norvegicus | I217 | QVFHQIHDHVN | 1 | Homo sapiens | I217 | KALMEMELKCE | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | I349 | SYHLQIVTKYI | 1 | Homo sapiens | I349 | DNHIQIVTKYI | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | I349 | KFHLAIVDTYI | 1 | Mus musculus | I349 | MFHLSIVDTYI | 1 | Rattus norvegicus | I354 | IVTKYILIPAS | 1 | Homo sapiens | I354 | IVTKYIILPSN | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | I354 | IVDTYIMKPSK | 1 | Mus musculus | I354 | IVDTYIVKPSK | 1 | Rattus norvegicus | L230 | TFFHVLRIYLS | 2 | Mus musculus, Rattus norvegicus | L230 | AFFSVLRIYLS | 1 | Homo sapiens | L230 | VFYFKIRPFLA | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | L234 | VLRIYLSGWKG | 2 | Homo sapiens, Rattus norvegicus | L234 | KIRPFLAGWTN | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | L234 | VLRIYLSGWKC | 1 | Mus musculus | L384 | TGGTDLMNFLK | 1 | Homo sapiens | L384 | TGGTRLMPFLK | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | L384 | TGGTNPMTFLR | 1 | Mus musculus | L384 | TGGTDVMNFLR | 1 | Rattus norvegicus | L388 | DLMNFLKTVRS | 1 | Homo sapiens | L388 | RLMPFLKQCRD | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | L388 | NPMTFLRSVKD | 1 | Mus musculus | L388 | DVMNFLRSVKD | 1 | Rattus norvegicus | R231 | FFHVLRIYLSG | 2 | Mus musculus, Rattus norvegicus | R231 | FFSVLRIYLSG | 1 | Homo sapiens | R231 | FYFKIRPFLAG | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | R343 | ALVSLRSYHLQ | 1 | Homo sapiens | R343 | MLKIFRDNHIQ | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | R343 | GLVSVRKFHLA | 1 | Mus musculus | R343 | GLVSLRMFHLS | 1 | Rattus norvegicus | S167 | GFFLVSLLVEI | 2 | Homo sapiens, Mus musculus | S167 | WFYLVSVRFEK | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | S167 | GFFLVSLMVEI | 1 | Rattus norvegicus | S235 | LRIYLSGWKGN | 2 | Homo sapiens, Rattus norvegicus | S235 | IRPFLAGWTNM | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | S235 | LRIYLSGWKCS | 1 | Mus musculus | S263 | EFAGGSAGQSS | 1 | Homo sapiens | S263 | IFSGGSNAQSS | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | S263 | MFSGGSAGQSS | 1 | Mus musculus | S263 | KFSGGSAGQSS | 1 | Rattus norvegicus | V125 | LPPILSYADCV | 2 | Mus musculus, Rattus norvegicus | V125 | LPPILVYADCV | 1 | Homo sapiens | V125 | VPPLATYSSLV | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V130 | SYADCVLANWK | 2 | Mus musculus, Rattus norvegicus | V130 | VYADCVLANWK | 1 | Homo sapiens | V130 | TYSSLVLWNFK | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V166 | KGFFLVSLLVE | 2 | Homo sapiens, Mus musculus | V166 | SWFYLVSVRFE | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V166 | KGFFLVSLMVE | 1 | Rattus norvegicus | V170 | LVSLLVEIAAA | 1 | Homo sapiens | V170 | LVSVRFEKIGS | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V170 | LVSLLVEIAAS | 1 | Mus musculus | V170 | LVSLMVEIAAS | 1 | Rattus norvegicus | V221 | RMRDFVDPDTF | 2 | Mus musculus, Rattus norvegicus | V221 | QIHDHVNPKAF | 1 | Homo sapiens | V221 | EMELKCEPNVF | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V350 | YHLQIVTKYIL | 1 | Homo sapiens | V350 | NHIQIVTKYII | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V350 | FHLAIVDTYIM | 1 | Mus musculus | V350 | FHLSIVDTYIV | 1 | Rattus norvegicus | V391 | NFLKTVRSTT- | 1 | Homo sapiens | V391 | PFLKQCRDETV | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | V391 | TFLRSVKDTT- | 1 | Mus musculus | V391 | NFLRSVKDTT- | 1 | Rattus norvegicus | Y126 | PPILSYADCVL | 2 | Mus musculus, Rattus norvegicus | Y126 | PPILVYADCVL | 1 | Homo sapiens | Y126 | PPLATYSSLVL | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Y353 | QIVTKYILIPA | 1 | Homo sapiens | Y353 | QIVTKYIILPS | 1 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Y353 | AIVDTYIMKPS | 1 | Mus musculus | Y353 | SIVDTYIVKPS | 1 | Rattus norvegicus |