eF-site ID 6d1j-A
PDB Code 6d1j
Chain A

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Title Crystal structure of NDM-1 complexed with compound 13
Classification HYDROLASE/HYDROLASE inhibitor
Compound Metallo-beta-lactamase type 2
Source (BLAN1_KLEPN)
Sequence A:  GDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVR
DGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHA
HQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSL
TFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGT
DIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFP
KASMIVMSHSAPDSRAAITHTARMADKLR
Description


Functional site

1) chain A
residue 120
type
sequence H
description binding site for residue ZN A 301
source : AC1

2) chain A
residue 122
type
sequence H
description binding site for residue ZN A 301
source : AC1

3) chain A
residue 189
type
sequence H
description binding site for residue ZN A 301
source : AC1

4) chain A
residue 124
type
sequence D
description binding site for residue ZN A 302
source : AC2

5) chain A
residue 208
type
sequence C
description binding site for residue ZN A 302
source : AC2

6) chain A
residue 250
type
sequence H
description binding site for residue ZN A 302
source : AC2

7) chain A
residue 120
type
sequence H
description binding site for residue 7SX A 303
source : AC3

8) chain A
residue 122
type
sequence H
description binding site for residue 7SX A 303
source : AC3

9) chain A
residue 124
type
sequence D
description binding site for residue 7SX A 303
source : AC3

10) chain A
residue 189
type
sequence H
description binding site for residue 7SX A 303
source : AC3

11) chain A
residue 208
type
sequence C
description binding site for residue 7SX A 303
source : AC3

12) chain A
residue 220
type
sequence N
description binding site for residue 7SX A 303
source : AC3

13) chain A
residue 250
type
sequence H
description binding site for residue 7SX A 303
source : AC3

14) chain A
residue 189
type
sequence H
description binding site for residue ACT A 304
source : AC4

15) chain A
residue 208
type
sequence C
description binding site for residue ACT A 304
source : AC4

16) chain A
residue 211
type
sequence K
description binding site for residue ACT A 304
source : AC4

17) chain A
residue 218
type
sequence L
description binding site for residue ACT A 304
source : AC4

18) chain A
residue 219
type
sequence G
description binding site for residue ACT A 304
source : AC4

19) chain A
residue 220
type
sequence N
description binding site for residue ACT A 304
source : AC4

20) chain A
residue 250
type
sequence H
description binding site for residue ACT A 304
source : AC4

21) chain A
residue 121
type
sequence A
description binding site for residue ACT A 305
source : AC5

22) chain A
residue 122
type
sequence H
description binding site for residue ACT A 305
source : AC5

23) chain A
residue 152
type
sequence E
description binding site for residue ACT A 305
source : AC5

24) chain A
residue 190
type
sequence T
description binding site for residue ACT A 305
source : AC5

25) chain A
residue 192
type
sequence D
description binding site for residue ACT A 305
source : AC5

26) chain A
residue 223
type
sequence D
description binding site for residue ACT A 305
source : AC5

27) chain A
residue 124
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

28) chain A
residue 189
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

29) chain A
residue 208
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

30) chain A
residue 250
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

31) chain A
residue 120
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

32) chain A
residue 122
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:22713171, ECO:0000269|PubMed:25815530
source Swiss-Prot : SWS_FT_FI1

33) chain A
residue 220
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:22713171
source Swiss-Prot : SWS_FT_FI2

34) chain A
residue 211
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:22713171
source Swiss-Prot : SWS_FT_FI2


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