eF-site ID 6mso-B
PDB Code 6mso
Chain B

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Title Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate
Classification LYASE/LYASE inhibitor
Compound fumarate hydratase
Source (Q4QAU9_LEIMA)
Sequence B:  AEFNFVPLVSKVSHKETKYRLLTKDYVSVVQPGAGLPEML
RVDPAALTLLSSTAFDDVEHLLRSSHLMSLRKIFDDPEAS
DNDKFVALQLLKNANISSARLLPGCQDTGTAIIAGYRGDQ
VFVPGNDEEALSRGVYDIFQKRNFRYSQNVPLSMYDEKNT
GTNLPAQIDLYASKGMEYSFMFVAKGGGSANKSFLLQETK
SVLNPKSLRNFLKEKLAMFGTSACPPYHVAVVIGGTSAEM
TMKVLKYASCHYYDDLITKPDMKTGYTFRDLELEEEVLKV
CQNIGMGAQFGGKYYAHDVRVIRMPRHGASCPIGIGVSCS
ADRQALGKINKDGVWLEELEMEPSQYLPDLKEDELLKTPA
VMVNLNRPMPEVLQELSKHPVRTRLSLTGTIIVARDSAHA
RMREMLEAGKPLPQYMKEHPVYYAGPAKQPDGLPSGSFGP
TTAGRMDPFVDLFQSHGGSMVMLAKGNRSKQVTKACHKYG
GFYLGSIGGPAAVLAQNAIKKVECLDMKDLGMEAVWRIEV
ENFPAFIVVDDKGNDFFEQL
Description


Functional site

1) chain B
residue 354
type
sequence Q
description binding site for residue 1PE A 609
source : AC9

2) chain B
residue 355
type
sequence Y
description binding site for residue 1PE A 609
source : AC9

3) chain B
residue 213
type
sequence N
description binding site for residue 1PE A 610
source : AD1

4) chain B
residue 216
type
sequence S
description binding site for residue 1PE A 610
source : AD1

5) chain B
residue 114
type
sequence C
description binding site for residue SF4 B 601
source : AD3

6) chain B
residue 115
type
sequence Q
description binding site for residue SF4 B 601
source : AD3

7) chain B
residue 195
type
sequence G
description binding site for residue SF4 B 601
source : AD3

8) chain B
residue 233
type
sequence C
description binding site for residue SF4 B 601
source : AD3

9) chain B
residue 328
type
sequence C
description binding site for residue SF4 B 601
source : AD3

10) chain B
residue 330
type
sequence A
description binding site for residue SF4 B 601
source : AD3

11) chain B
residue 474
type
sequence K
description binding site for residue SF4 B 601
source : AD3

12) chain B
residue 23
type
sequence H
description binding site for residue GOL B 602
source : AD4

13) chain B
residue 28
type
sequence Y
description binding site for residue GOL B 602
source : AD4

14) chain B
residue 337
type
sequence K
description binding site for residue GOL B 602
source : AD4

15) chain B
residue 520
type
sequence G
description binding site for residue GOL B 603
source : AD5

16) chain B
residue 521
type
sequence M
description binding site for residue GOL B 603
source : AD5

17) chain B
residue 115
type
sequence Q
description binding site for residue JYD B 604
source : AD6

18) chain B
residue 116
type
sequence D
description binding site for residue JYD B 604
source : AD6

19) chain B
residue 154
type
sequence R
description binding site for residue JYD B 604
source : AD6

20) chain B
residue 196
type
sequence G
description binding site for residue JYD B 604
source : AD6

21) chain B
residue 197
type
sequence G
description binding site for residue JYD B 604
source : AD6

22) chain B
residue 404
type
sequence R
description binding site for residue JYD B 604
source : AD6

23) chain B
residue 450
type
sequence T
description binding site for residue JYD B 604
source : AD6

24) chain B
residue 451
type
sequence T
description binding site for residue JYD B 604
source : AD6

25) chain B
residue 454
type
sequence R
description binding site for residue JYD B 604
source : AD6

26) chain B
residue 474
type
sequence K
description binding site for residue JYD B 604
source : AD6

27) chain B
residue 33
type
sequence K
description binding site for residue 1PE B 605
source : AD7

28) chain B
residue 341
type
sequence D
description binding site for residue 1PE B 605
source : AD7

29) chain B
residue 87
type
sequence E
description binding site for residue 1PE B 606
source : AD8

30) chain B
residue 291
type
sequence Q
description binding site for residue 1PE B 606
source : AD8

31) chain B
residue 302
type
sequence K
description binding site for residue 1PE B 606
source : AD8

32) chain B
residue 487
type
sequence K
description binding site for residue 1PE D 603
source : AE8

33) chain B
residue 488
type
sequence Y
description binding site for residue 1PE D 603
source : AE8

34) chain B
residue 114
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:30645090, ECO:0007744|PDB:6MSO
source Swiss-Prot : SWS_FT_FI1

35) chain B
residue 233
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:30645090, ECO:0007744|PDB:6MSO
source Swiss-Prot : SWS_FT_FI1

36) chain B
residue 328
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:30645090, ECO:0007744|PDB:6MSO
source Swiss-Prot : SWS_FT_FI1

37) chain B
residue 197
type BINDING
sequence G
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

38) chain B
residue 200
type BINDING
sequence N
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

39) chain B
residue 404
type BINDING
sequence R
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

40) chain B
residue 450
type BINDING
sequence T
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

41) chain B
residue 474
type BINDING
sequence K
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

42) chain B
residue 115
type BINDING
sequence Q
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2

43) chain B
residue 154
type BINDING
sequence R
description BINDING => ECO:0000250|UniProtKB:E9AE57
source Swiss-Prot : SWS_FT_FI2


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