eF-site ID 6nkj-AB
PDB Code 6nkj
Chain A, B

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Title 1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
Classification TRANSFERASE
Compound UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1
Source (MURA1_STRPN)
Sequence A:  MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGK
TVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDAT
GDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGC
TIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHI
YMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAI
LLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAG
TFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEE
DEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTV
AKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVG
GQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLD
RGYYGFHEKLAQLGAKIQRIE
B:  MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGK
TVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDAT
GDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGC
TIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHI
YMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAI
LLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAG
TFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEE
DEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTV
AKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVG
GQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLD
RGYYGFHEKLAQLGAKIQRIE
Description (1)  Adenosylhomocysteinase (E.C.3.3.1.1, 1.8.1.7)


Functional site

1) chain A
residue 96
type
ligand
sequence R
description binding site for residue 0V5 A 501
source : AC1

2) chain A
residue 120
type
ligand
sequence C
description binding site for residue 0V5 A 501
source : AC1

3) chain A
residue 121
type
ligand
sequence T
description binding site for residue 0V5 A 501
source : AC1

4) chain A
residue 401
type
ligand
sequence R
description binding site for residue 0V5 A 501
source : AC1

5) chain A
residue 23
type
ligand
sequence K
description binding site for residue CIT A 502
source : AC2

6) chain A
residue 24
type
ligand
sequence N
description binding site for residue CIT A 502
source : AC2

7) chain A
residue 122
type
ligand
sequence I
description binding site for residue CIT A 502
source : AC2

8) chain A
residue 125
type
ligand
sequence R
description binding site for residue CIT A 502
source : AC2

9) chain A
residue 309
type
ligand
sequence D
description binding site for residue CIT A 502
source : AC2

10) chain A
residue 335
type
ligand
sequence R
description binding site for residue CIT A 502
source : AC2

11) chain A
residue 374
type
ligand
sequence L
description binding site for residue CIT A 502
source : AC2

12) chain A
residue 375
type
ligand
sequence R
description binding site for residue CIT A 502
source : AC2

13) chain A
residue 401
type
ligand
sequence R
description binding site for residue CIT A 502
source : AC2

14) chain A
residue 115
type
ligand
sequence S
description binding site for residue CL A 503
source : AC3

15) chain A
residue 146
type
ligand
sequence G
description binding site for residue CL A 503
source : AC3

16) chain A
residue 147
type
ligand
sequence Y
description binding site for residue CL A 503
source : AC3

17) chain B
residue 344
type
ligand
sequence R
description binding site for residue CL A 503
source : AC3

18) chain B
residue 226
type
ligand
sequence H
description binding site for residue EDO B 502
source : AC4

19) chain B
residue 299
type
ligand
sequence K
description binding site for residue EDO B 502
source : AC4

20) chain B
residue 23
type
ligand
sequence K
description binding site for residue CIT B 503
source : AC5

21) chain B
residue 24
type
ligand
sequence N
description binding site for residue CIT B 503
source : AC5

22) chain B
residue 122
type
ligand
sequence I
description binding site for residue CIT B 503
source : AC5

23) chain B
residue 125
type
ligand
sequence R
description binding site for residue CIT B 503
source : AC5

24) chain B
residue 309
type
ligand
sequence D
description binding site for residue CIT B 503
source : AC5

25) chain B
residue 332
type
ligand
sequence F
description binding site for residue CIT B 503
source : AC5

26) chain B
residue 335
type
ligand
sequence R
description binding site for residue CIT B 503
source : AC5

27) chain B
residue 374
type
ligand
sequence L
description binding site for residue CIT B 503
source : AC5

28) chain B
residue 375
type
ligand
sequence R
description binding site for residue CIT B 503
source : AC5

29) chain B
residue 401
type
ligand
sequence R
description binding site for residue CIT B 503
source : AC5

30) chain B
residue 203
type
ligand
sequence N
description binding site for residue CL B 504
source : AC6

31) chain A
residue 340
type
ligand
sequence E
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

32) chain B
residue 96
type
ligand
sequence R
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

33) chain B
residue 119
type
ligand
sequence G
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

34) chain B
residue 121
type
ligand
sequence T
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

35) chain B
residue 122
type
ligand
sequence I
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

36) chain B
residue 123
type
ligand
sequence G
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

37) chain B
residue 125
type
ligand
sequence R
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

38) chain B
residue 401
type
ligand
sequence R
description binding site for Di-peptide 0V5 B 501 and CYS B 120
source : AC7

39) chain A
residue 23-24
type binding
ligand CIT: CITRIC ACID
sequence KN
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

40) chain A
residue 51
type binding
ligand CIT: CITRIC ACID
sequence D
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

41) chain A
residue 120
type binding
ligand CIT: CITRIC ACID
sequence C
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

42) chain A
residue 122
type binding
ligand CIT: CITRIC ACID
sequence I
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

43) chain A
residue 125
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

44) chain A
residue 309
type binding
ligand CIT: CITRIC ACID
sequence D
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

45) chain A
residue 332
type binding
ligand CIT: CITRIC ACID
sequence F
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

46) chain A
residue 335
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

47) chain A
residue 373-375
type binding
ligand CIT: CITRIC ACID
sequence DLR
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

48) chain A
residue 401
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_A_502

49) chain A
residue 92-96
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence VSKMR
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_A_501

50) chain A
residue 119-122
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence GCTI
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_A_501

51) chain A
residue 125
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence R
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_A_501

52) chain A
residue 401
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence R
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_A_501

53) chain B
residue 23-24
type binding
ligand CIT: CITRIC ACID
sequence KN
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

54) chain B
residue 51
type binding
ligand CIT: CITRIC ACID
sequence D
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

55) chain B
residue 97
type binding
ligand CIT: CITRIC ACID
sequence A
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

56) chain B
residue 120
type binding
ligand CIT: CITRIC ACID
sequence C
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

57) chain B
residue 122
type binding
ligand CIT: CITRIC ACID
sequence I
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

58) chain B
residue 125
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

59) chain B
residue 309
type binding
ligand CIT: CITRIC ACID
sequence D
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

60) chain B
residue 332
type binding
ligand CIT: CITRIC ACID
sequence F
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

61) chain B
residue 335
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

62) chain B
residue 373-375
type binding
ligand CIT: CITRIC ACID
sequence DLR
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

63) chain B
residue 401
type binding
ligand CIT: CITRIC ACID
sequence R
description CITRIC ACID binding site
source pdb_hetatom : CIT_6nkj_B_503

64) chain B
residue 39-40
type binding
ligand EDO: 1,2-ETHANEDIOL
sequence GK
description 1,2-ETHANEDIOL binding site
source pdb_hetatom : EDO_6nkj_B_502

65) chain B
residue 226
type binding
ligand EDO: 1,2-ETHANEDIOL
sequence H
description 1,2-ETHANEDIOL binding site
source pdb_hetatom : EDO_6nkj_B_502

66) chain B
residue 92-96
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence VSKMR
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_B_501

67) chain B
residue 119-122
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence GCTI
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_B_501

68) chain B
residue 125
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence R
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_B_501

69) chain B
residue 401
type binding
ligand 0V5: (2R)-2-(phosphonooxy)propanoic acid
sequence R
description (2R)-2-(phosphonooxy)propanoic acid binding site
source pdb_hetatom : 0V5_6nkj_B_501


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