eF-site ID 5zge-AB
PDB Code 5zge
Chain A, B

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Title Crystal structure of NDM-1 at pH5.5 (Bis-Tris) in complex with hydrolyzed ampicillin
Classification HYDROLASE/ANTIBIOTIC
Compound Metallo-beta-lactamase type 2
Source (BLAN1_KLEPN)
Sequence A:  EIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPG
FGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEI
NLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLA
PQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGH
TSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHY
AASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKL
R
B:  EIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPG
FGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEI
NLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLA
PQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGH
TSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHY
AASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKL
R
Description


Functional site

1) chain A
residue 65
type
sequence L
description binding site for residue ZZ7 A 301
source : AC1

2) chain A
residue 67
type
sequence M
description binding site for residue ZZ7 A 301
source : AC1

3) chain A
residue 93
type
sequence W
description binding site for residue ZZ7 A 301
source : AC1

4) chain A
residue 122
type
sequence H
description binding site for residue ZZ7 A 301
source : AC1

5) chain A
residue 123
type
sequence Q
description binding site for residue ZZ7 A 301
source : AC1

6) chain A
residue 124
type
sequence D
description binding site for residue ZZ7 A 301
source : AC1

7) chain A
residue 189
type
sequence H
description binding site for residue ZZ7 A 301
source : AC1

8) chain A
residue 208
type
sequence C
description binding site for residue ZZ7 A 301
source : AC1

9) chain A
residue 211
type
sequence K
description binding site for residue ZZ7 A 301
source : AC1

10) chain A
residue 219
type
sequence G
description binding site for residue ZZ7 A 301
source : AC1

11) chain A
residue 220
type
sequence N
description binding site for residue ZZ7 A 301
source : AC1

12) chain A
residue 250
type
sequence H
description binding site for residue ZZ7 A 301
source : AC1

13) chain B
residue 34
type
sequence T
description binding site for residue ZZ7 A 301
source : AC1

14) chain B
residue 68
type
sequence P
description binding site for residue ZZ7 A 301
source : AC1

15) chain B
residue 69
type
sequence G
description binding site for residue ZZ7 A 301
source : AC1

16) chain A
residue 120
type
sequence H
description binding site for residue ZN A 302
source : AC2

17) chain A
residue 122
type
sequence H
description binding site for residue ZN A 302
source : AC2

18) chain A
residue 189
type
sequence H
description binding site for residue ZN A 302
source : AC2

19) chain A
residue 124
type
sequence D
description binding site for residue ZN A 303
source : AC3

20) chain A
residue 208
type
sequence C
description binding site for residue ZN A 303
source : AC3

21) chain A
residue 250
type
sequence H
description binding site for residue ZN A 303
source : AC3

22) chain A
residue 120
type
sequence H
description binding site for residue OH A 304
source : AC4

23) chain A
residue 122
type
sequence H
description binding site for residue OH A 304
source : AC4

24) chain A
residue 124
type
sequence D
description binding site for residue OH A 304
source : AC4

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

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

27) chain B
residue 120
type
sequence H
description binding site for residue ZN B 301
source : AC5

28) chain B
residue 122
type
sequence H
description binding site for residue ZN B 301
source : AC5

29) chain B
residue 189
type
sequence H
description binding site for residue ZN B 301
source : AC5

30) chain A
residue 34
type
sequence T
description binding site for residue ZZ7 B 302
source : AC6

31) chain A
residue 68
type
sequence P
description binding site for residue ZZ7 B 302
source : AC6

32) chain A
residue 69
type
sequence G
description binding site for residue ZZ7 B 302
source : AC6

33) chain B
residue 65
type
sequence L
description binding site for residue ZZ7 B 302
source : AC6

34) chain B
residue 67
type
sequence M
description binding site for residue ZZ7 B 302
source : AC6

35) chain B
residue 93
type
sequence W
description binding site for residue ZZ7 B 302
source : AC6

36) chain B
residue 122
type
sequence H
description binding site for residue ZZ7 B 302
source : AC6

37) chain B
residue 123
type
sequence Q
description binding site for residue ZZ7 B 302
source : AC6

38) chain B
residue 124
type
sequence D
description binding site for residue ZZ7 B 302
source : AC6

39) chain B
residue 189
type
sequence H
description binding site for residue ZZ7 B 302
source : AC6

40) chain B
residue 208
type
sequence C
description binding site for residue ZZ7 B 302
source : AC6

41) chain B
residue 211
type
sequence K
description binding site for residue ZZ7 B 302
source : AC6

42) chain B
residue 219
type
sequence G
description binding site for residue ZZ7 B 302
source : AC6

43) chain B
residue 220
type
sequence N
description binding site for residue ZZ7 B 302
source : AC6

44) chain B
residue 250
type
sequence H
description binding site for residue ZZ7 B 302
source : AC6

45) chain B
residue 124
type
sequence D
description binding site for residue ZN B 303
source : AC7

46) chain B
residue 208
type
sequence C
description binding site for residue ZN B 303
source : AC7

47) chain B
residue 250
type
sequence H
description binding site for residue ZN B 303
source : AC7

48) chain B
residue 120
type
sequence H
description binding site for residue OH B 304
source : AC8

49) chain B
residue 122
type
sequence H
description binding site for residue OH B 304
source : AC8

50) chain B
residue 124
type
sequence D
description binding site for residue OH B 304
source : AC8

51) chain B
residue 189
type
sequence H
description binding site for residue OH B 304
source : AC8

52) chain B
residue 208
type
sequence C
description binding site for residue OH B 304
source : AC8

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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


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