Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T33193 Target Info
Target Name Bacterial Penicillin binding protein 3 (Bact mrcA)
Synonyms mrcA; Peptidoglycan synthetase ftsI; Peptidoglycan glycosyltransferase 3; Penicillin-binding protein 3; PSPB20; PBP-3; PBP 3
Target Type Successful Target
Gene Name Bact mrcA
Biochemical Class Hexosyltransferase
UniProt ID
FTSI_ECOLI
Drug Binding Sites of Target  Top
Ligand Name: AIC499 (bound) Ligand Info
Structure Description Crystal structure of PBP3 from E. coli in complex with AIC499 PDB:7ONW
Method X-ray diffraction Resolution 2.70 Å Mutation No [1]
PDB Sequence
LRVQQVSTSR
71
GMITDRSGRP
81
LAVSVPVKAI
91
WADPKEVHDA
101
GGISVGDRWK
111

ALANALNIPL
121
DQLSARINAN
131
PKGRFIYLAR
141
QVNPDMADYI
151
KKLKLPGIHL
161

REESRRYYPS
171
GEVTAHLIGF
181
TNVDSQGIEG
191
VEKSFDKWLT
201
GQAAHNLALS
235

IDERLQALVY
245
RELNNAVAFN
255
KAESGSAVLV
265
DVNTGEVLAM
275
ANSPSYNPNN
285

LSGTPKEAMR
295
NRTITDVFEP
305
GSTVKPMVVM
315
TALQRGVVRE
325
NSVLNTIPYR
335

INGHEIKDVA
345
RYSELTLTGV
355
LQKSSNVGVS
365
KLALAMPSSA
375
LVDTYSRFGL
385

GKATNLGLVG
395
ERSGLYPQKQ
405
RWSDIERATF
415
SFGYGLMVTP
425
LQLARVYATI
435

GSYGIYRPLS
445
ITKVDPPVPG
455
ERVFPESIVR
465
TVVHMMESVA
475
LPGGGGVKAA
485

IKGYRIAIKT
495
GTAKKVGPDG
505
RYINKYIAYT
515
AGVAPASQPR
525
FALVVVINDP
535

QAGKYYGGAV
545
SAPVFGAIMG
555
GVLRTMNIEP
565
DALTT
Residue
Distance (Å)
GLU304
2.273
GLY306
3.225
SER307
1.458
THR308
4.974
LYS310
3.793
VAL344
3.264
SER359
3.315
ASN361
3.281
PHE417
3.100
GLY418
3.590
TYR419
3.319
LYS494
4.397
Residue
Distance (Å)
THR495
2.547
GLY496
3.358
THR497
2.360
ALA498
3.490
LYS499
3.004
TYR507
3.987
TYR511
4.135
TYR540
4.474
TYR541
3.315
GLY542
3.611
GLY543
4.075
References  Top
REF 1 Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria. Biomolecules. 2021 Jul 19;11(7):1057.

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