5MJU

Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor TFB-TBOA and the allosteric inhibitor UCPH101

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1	polymer	522	56512.4	1	UniProt (P43003) UniProt (Q15758) Pfam (PF00375) In PDB	Homo sapiens (Human)	Sodium-dependent glutamate/aspartate transporter 1,GLAST-1,Solute carrier family 1 member 3,ATB(0),Baboon M7 virus receptor,RD114/simian type D retrovirus receptor,Sodium-dependent neutral amino acid transporter type 2,Solute carrier family 1 member 5,Sodium-dependent glutamate/aspartate transporter 1,GLAST-1,Solute carrier family 1 member 3
2	A	2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile	non-polymer		422.5	1	Chemie (6Z6)
3	A	(2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid	non-polymer		426.3	1	Chemie (7O9)

Sequence modifications

A: 1 - 148 (UniProt: P43003)

PDB	External Database	Details
Ser 23	Arg 23	engineered mutation
Phe 44	Tyr 44	engineered mutation
Arg 46	Phe 46	engineered mutation
Leu 50	Phe 50	engineered mutation
Leu 51	Val 51	engineered mutation
Leu 56	Thr 56	engineered mutation
Leu 60	Val 60	engineered mutation
Val 62	Thr 62	engineered mutation
Val 63	Ile 63	engineered mutation
Leu 67	Thr 67	engineered mutation
Pro 72	Arg 72	engineered mutation
Leu 73	Met 73	engineered mutation
Pro 75	Tyr 75	engineered mutation
Ala 82	Ser 82	engineered mutation
Lys 93	Gln 93	engineered mutation
Ile 96	Val 96	engineered mutation
Val 101	Ile 101	engineered mutation
Ile 105	Val 105	engineered mutation
Leu 108	Met 108	engineered mutation
Ser 110	Ala 110	engineered mutation
Ala 113	Ser 113	engineered mutation
Arg 118	Lys 118	engineered mutation
Leu 119	Met 119	engineered mutation
Ser 129	Thr 129	engineered mutation
Leu 137	Ile 137	engineered mutation
Leu 141	Ile 141	engineered mutation
Leu 143	Ile 143	conflict

A: 149 - 222 (UniProt: Q15758)

PDB	External Database	Details
Thr 155	Asn 163	engineered mutation
Cys 175	Ser 183	engineered mutation
Thr 204	Asn 212	engineered mutation

A: 223 - 522 (UniProt: P43003)

PDB	External Database	Details
Ile 223	Ala 243	engineered mutation
Val 232	Cys 252	engineered mutation
Ala 236	Val 256	engineered mutation
Leu 237	Ile 257	engineered mutation
Lys 239	Asn 259	engineered mutation
Gly 241	Lys 261	engineered mutation
Leu 246	Ala 266	engineered mutation
Val 248	Arg 268	engineered mutation
Asp 249	Glu 269	engineered mutation
Asn 252	Asp 272	engineered mutation
Thr 258	Ile 278	engineered mutation
Lys 260	Arg 280	engineered mutation
Ile 264	Val 284	engineered mutation
Leu 271	Val 291	engineered mutation
Leu 287	Met 307	engineered mutation
Glu 288	Gly 308	engineered mutation
Leu 290	Ile 310	engineered mutation
Gly 295	Ala 315	engineered mutation
Met 298	Thr 318	engineered mutation
Val 306	Leu 326	engineered mutation
Gly 309	Ala 329	engineered mutation
Leu 310	Val 330	engineered mutation
Ile 316	Leu 336	engineered mutation
Ile 320	Val 340	engineered mutation
Phe 326	Trp 346	engineered mutation
Ala 330	Gly 350	engineered mutation
Ile 332	Leu 352	engineered mutation
Ile 366	Val 386	engineered mutation
Val 388	Leu 408	engineered mutation
Tyr 399	Phe 419	engineered mutation
Asp 402	Asn 422	engineered mutation
Ala 437	Ser 457	engineered mutation
Leu 454	Phe 474	engineered mutation
Phe 458	Leu 478	engineered mutation
Met 461	Thr 481	engineered mutation
Val 462	Thr 482	engineered mutation
Ala 468	Ser 488	engineered mutation
Lys 480	His 500	engineered mutation
Glu 483	Lys 503	engineered mutation
Lys 484	Asn 504	engineered mutation
Gln 485	Arg 505	engineered mutation
Ala 487	Val 507	engineered mutation
Leu 489	Met 509	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56512.4
Non-Polymers*	Number of molecules	2
	Total formula weight	848.8
All*	Total formula weight	57361.2

*Water molecules are not included.