Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T12409 Target Info
Target Name Bacterial Glucosamine-6-phosphate synthase (Bact glmS)
Synonyms glmS; L-glutamine-D-fructose-6-phosphate amidotransferase; Hexosephosphate aminotransferase; Glucosamine--fructose-6-phosphate aminotransferase; GFAT; D-fructose-6-phosphate amidotransferase
Target Type Clinical trial Target
Gene Name Bact glmS
Biochemical Class Transaminase
UniProt ID
GLMS_ECOLI
Ligand General Information  Top
Ligand Name Alpha-D-Glucose-6-Phosphate Ligand Info
Canonical SMILES C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
InChI 1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKey NBSCHQHZLSJFNQ-DVKNGEFBSA-N
PubChem Compound ID 439284
Drug Binding Sites of Target  Top
PDB ID: 3OOJ      C1A mutant of E. coli GlmS in complex with glucose-6P and glutamate
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [1]
PDB Sequence
AGIVGAIAQR
10
DVAEILLEGL
20
RRLEYRGYDS
30
AGLAVVDAEG
40
HMTRLRRLGK
50

VQMLAQAAEE
60
HPLHGGTGIA
70
HTRWATHGEP
80
SEVNAHPHVS
90
EHIVVVHNGI
100

IENHEPLREE
110
LKARGYTFVS
120
ETDTEVIAHL
130
VNWELKQGGT
140
LREAVLRAIP
150

QLRGAYGTVI
160
MDSRHPDTLL
170
AARSGSPLVI
180
GLGMGENFIA
190
SDQLALLPVT
200

RRFIFLEEGD
210
IAEITRRSVN
220
IFDKTGAEVK
230
RQDIESNLQY
240
DAGDKGIYRH
250

YMQKEIYEQP
260
NAIKNTLTGR
270
ISHGQVDLSE
280
LGPNADELLS
290
KVEHIQILAC
300

GTSYNSGMVS
310
RYWFESLAGI
320
PCDVEIASEF
330
RYRKSAVRRN
340
SLMITLSQSG
350

ETADTLAGLR
360
LSKELGYLGS
370
LAICNVPGSS
380
LVRESDLALM
390
TNAGTEIGVA
400

STKAFTTQLT
410
VLLMLVAKLS
420
RLKGLDASIE
430
HDIVHGLQAL
440
PSRIEQMLSQ
450

DKRIEALAED
460
FSDKHHALFL
470
GRGDQYPIAL
480
EGALKLKEIS
490
YIHAEAYAAG
500

ELKHGPLALI
510
DADMPVIVVA
520
PNNELLEKLK
530
SNIEEVRARG
540
GQLYVFADQD
550

AGFVSSDNMH
560
IIEMPHVEEV
570
IAPIFYTVPL
580
QLLAYHVALI
590
KGTDVDQPRN
600

LAKSVTVE
Residue
Distance (Å)
CYS300
3.420
GLY301
4.243
THR302
3.281
SER303
2.890
LEU346
4.140
SER347
2.817
GLN348
2.891
SER349
2.728
GLY350
4.251
THR352
2.685
THR355
4.399
Residue
Distance (Å)
VAL399
2.957
ALA400
3.950
SER401
3.469
GLN408
4.815
GLU488
3.949
LEU601
4.983
ALA602
2.807
LYS603
3.189
SER604
4.313
VAL605
4.514
PDB ID: 1MOR      ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSE 6-PHOSPHATE
Method X-ray diffraction Resolution 1.90 Å Mutation No [2]
PDB Sequence
GDKGIYRHYM
252
QKEIYEQPNA
262
IKNTLTGRIS
272
HGQVDLSELG
282
PNADELLSKV
292

EHIQILACGT
302
SYNSGMVSRY
312
WFESLAGIPC
322
DVEIASEFRY
332
RKSAVRRNSL
342

MITLSQSGET
352
ADTLAGLRLS
362
KELGYLGSLA
372
ICNVPGSSLV
382
RESDLALMTN
392

AGTEIGVAST
402
KAFTTQLTVL
412
LMLVAKLSRL
422
KGLDASIEHD
432
IVHGLQALPS
442

RIEQMLSQDK
452
RIEALAEDFS
462
DKHHALFLGR
472
GDQYPIALEG
482
ALKLKEISYI
492

HAEAYAAGEL
502
KHGPLALIDA
512
DMPVIVVAPN
522
NELLEKLKSN
532
IEEVRARGGQ
542

LYVFADQDAG
552
FVSSDNMHII
562
EMPHVEEVIA
572
PIFYTVPLQL
582
LAYHVALIKG
592

TDVDQPRNLA
602
KSVTVE
Residue
Distance (Å)
CYS300
3.397
GLY301
3.740
THR302
2.821
SER303
2.762
LEU346
4.309
SER347
2.833
GLN348
2.824
SER349
2.757
GLY350
4.453
THR352
2.713
Residue
Distance (Å)
THR355
4.634
VAL399
3.034
ALA400
4.172
SER401
3.601
GLN408
4.750
GLU488
4.132
ALA602
2.785
LYS603
3.209
SER604
4.450
VAL605
4.657
References  Top
REF 1 C1A mutant of E. coli GlmS in complex with glucose-6P and glutamate
REF 2 The mechanism of sugar phosphate isomerization by glucosamine 6-phosphate synthase. Protein Sci. 1999 Mar;8(3):596-602.

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