eF-site ID 3fmf-B
PDB Code 3fmf
Chain B

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Title Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7,8 diaminopelargonic acid carbamate
Classification LIGASE
Compound Dethiobiotin synthetase
Source Mycobacterium tuberculosis (BIOD_MYCTU)
Sequence B:  QSHMTILVVTGTGTGVGKTVVCAALASAARQAGIDVAVCK
PVQTGTARGDDDLAEVGRLAGVTQLAGLARYPQPMAPAAA
AEHAGMALPARDQIVRLIADLDRPGRLTLVEGAGGLLVEL
AEPGVTLRDVAVDVAAAALVVVTADLGTLNHTKLTLEALA
AQQVSXAGLVIGSWPDPPGLVAASNRSALARIAMVRAALP
AGAASLDAGDFAAMSAAAFDRNWVAGLV
Description


Functional site

1) chain B
residue 37
type
sequence K
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

2) chain B
residue 40
type
sequence Q
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

3) chain B
residue 41
type
sequence T
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

4) chain B
residue 72
type
sequence M
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

5) chain B
residue 73
type
sequence A
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

6) chain B
residue 110
type
sequence A
description BINDING SITE FOR RESIDUE DSD A 250
source : AC1

7) chain B
residue 144
type
sequence G
description BINDING SITE FOR RESIDUE DSD B 250
source : AC2

8) chain B
residue 145
type
sequence T
description BINDING SITE FOR RESIDUE DSD B 250
source : AC2

9) chain B
residue 146
type
sequence L
description BINDING SITE FOR RESIDUE DSD B 250
source : AC2

10) chain B
residue 147
type
sequence N
description BINDING SITE FOR RESIDUE DSD B 250
source : AC2

11) chain B
residue 169
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVU, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI7

12) chain B
residue 37
type ACT_SITE
sequence K
description ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00336
source Swiss-Prot : SWS_FT_FI1

13) chain B
residue 11
type BINDING
sequence T
description BINDING => ECO:0000269|PubMed:25801336, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:4WOP, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI2

14) chain B
residue 197
type BINDING
sequence P
description BINDING => ECO:0000269|PubMed:25801336, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:4WOP, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI2

15) chain B
residue 16
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:20565114, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVV, ECO:0007744|PDB:6CZB, ECO:0007744|PDB:6CZC, ECO:0007744|PDB:6CZD, ECO:0007744|PDB:6CZE, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI3

16) chain B
residue 49
type BINDING
sequence D
description BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:20565114, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVV, ECO:0007744|PDB:6CZB, ECO:0007744|PDB:6CZC, ECO:0007744|PDB:6CZD, ECO:0007744|PDB:6CZE, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI3

17) chain B
residue 108
type BINDING
sequence E
description BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:20565114, ECO:0000269|PubMed:30289406, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE, ECO:0007744|PDB:6CVF, ECO:0007744|PDB:6CVV, ECO:0007744|PDB:6CZB, ECO:0007744|PDB:6CZC, ECO:0007744|PDB:6CZD, ECO:0007744|PDB:6CZE, ECO:0007744|PDB:6E05, ECO:0007744|PDB:6E06
source Swiss-Prot : SWS_FT_FI3

18) chain B
residue 37
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:20565114, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FMF, ECO:0007744|PDB:3FMI, ECO:0007744|PDB:6CVE
source Swiss-Prot : SWS_FT_FI4

19) chain B
residue 41
type BINDING
sequence T
description BINDING => ECO:0000255|HAMAP-Rule:MF_00336
source Swiss-Prot : SWS_FT_FI5

20) chain B
residue 144
type BINDING
sequence G
description BINDING => ECO:0000269|PubMed:20565114, ECO:0000269|DOI:10.1021/acscatal.8b03475, ECO:0007744|PDB:3FMF, ECO:0007744|PDB:3FMI, ECO:0007744|PDB:3FPA, ECO:0007744|PDB:6CVE
source Swiss-Prot : SWS_FT_FI6


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