eF-site ID 4gsr-A
PDB Code 4gsr
Chain A

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Title Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
Classification TRANSFERASE
Compound Probable conserved lipoprotein LPPS
Source Mycobacterium tuberculosis (O53223_MYCTU)
Sequence A:  SSPAHLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAE
KAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVA
VNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILT
VRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDS
STYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQ
GHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVVNTVGGTL
PGIDGLGDWNIPWDQWRAGNAKA
Description


Functional site

1) chain A
residue 214
type
sequence H
description BINDING SITE FOR RESIDUE EMT A 501
source : AC1

2) chain A
residue 215
type
sequence F
description BINDING SITE FOR RESIDUE EMT A 501
source : AC1

3) chain A
residue 252
type
sequence E
description BINDING SITE FOR RESIDUE EMT A 501
source : AC1

4) chain A
residue 254
type
sequence I
description BINDING SITE FOR RESIDUE EMT A 501
source : AC1

5) chain A
residue 160
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 502
source : AC2

6) chain A
residue 204
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 502
source : AC2

7) chain A
residue 205
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 502
source : AC2

8) chain A
residue 203
type
sequence L
description BINDING SITE FOR RESIDUE GOL A 503
source : AC3

9) chain A
residue 204
type
sequence N
description BINDING SITE FOR RESIDUE GOL A 503
source : AC3

10) chain A
residue 330
type
sequence Y
description BINDING SITE FOR RESIDUE GOL A 503
source : AC3

11) chain A
residue 388
type
sequence I
description BINDING SITE FOR RESIDUE GOL A 503
source : AC3

12) chain A
residue 389
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 503
source : AC3

13) chain A
residue 232
type BINDING
sequence D
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3

14) chain A
residue 235
type BINDING
sequence E
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3

15) chain A
residue 236
type BINDING
sequence G
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3

16) chain A
residue 318
type BINDING
sequence Y
description
source Swiss-Prot : SWS_FT_FI4

17) chain A
residue 331
type BINDING
sequence S
description
source Swiss-Prot : SWS_FT_FI4

18) chain A
residue 356
type BINDING
sequence N
description
source Swiss-Prot : SWS_FT_FI4

19) chain A
residue 336
type ACT_SITE
sequence H
description Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU01373, ECO:0000305|PubMed:23103390
source Swiss-Prot : SWS_FT_FI1

20) chain A
residue 354
type SITE
sequence C
description Binds to carbapenem drug (covalent) => ECO:0000250
source Swiss-Prot : SWS_FT_FI5

21) chain A
residue 354
type ACT_SITE
sequence C
description Nucleophile => ECO:0000255|PROSITE-ProRule:PRU01373, ECO:0000269|PubMed:23103390
source Swiss-Prot : SWS_FT_FI2


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