eF-site ID 3q2z-A
PDB Code 3q2z
Chain A

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Title Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Squalene synthase
Source Homo sapiens (Human) (FDFT_HUMAN)
Sequence A:  LSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLV
LRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESK
EKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMA
EFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDP
LVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEV
WSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVIT
YLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVK
IRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPS
SSKTRQIISTIRT
Description


Functional site

1) chain A
residue 148
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 1
source : AC1

2) chain A
residue 149
type
sequence R
description BINDING SITE FOR RESIDUE PO4 A 1
source : AC1

3) chain A
residue 173
type
sequence H
description BINDING SITE FOR RESIDUE PO4 A 1
source : AC1

4) chain A
residue 174
type
sequence Y
description BINDING SITE FOR RESIDUE PO4 A 1
source : AC1

5) chain A
residue 51
type
sequence S
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

6) chain A
residue 73
type
sequence Y
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

7) chain A
residue 180
type
sequence G
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

8) chain A
residue 183
type
sequence L
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

9) chain A
residue 208
type
sequence G
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

10) chain A
residue 211
type
sequence L
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

11) chain A
residue 212
type
sequence Q
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

12) chain A
residue 276
type
sequence Y
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

13) chain A
residue 288
type
sequence F
description BINDING SITE FOR RESIDUE D9A A 700
source : AC2

14) chain A
residue 171
type catalytic
sequence Y
description 264
source MCSA : MCSA1

15) chain A
residue 218
type catalytic
sequence R
description 264
source MCSA : MCSA1

16) chain A
residue 228
type catalytic
sequence R
description 264
source MCSA : MCSA1

17) chain A
residue 288
type catalytic
sequence F
description 264
source MCSA : MCSA1

18) chain A
residue 52
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:24531458
source Swiss-Prot : SWS_FT_FI2

19) chain A
residue 77
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:24531458
source Swiss-Prot : SWS_FT_FI2

20) chain A
residue 218
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:24531458
source Swiss-Prot : SWS_FT_FI2

21) chain A
residue 315
type BINDING
sequence K
description BINDING => ECO:0000305|PubMed:24531458
source Swiss-Prot : SWS_FT_FI2

22) chain A
residue 317
type BINDING
sequence R
description BINDING => ECO:0000305|PubMed:24531458
source Swiss-Prot : SWS_FT_FI2

23) chain A
residue 284-304
type TRANSMEM
sequence SVFNFCAIPQVMAIATLAACY
description Helical => ECO:0000255
source Swiss-Prot : SWS_FT_FI1

24) chain A
residue 80
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24531458, ECO:0007744|PDB:3WEG, ECO:0007744|PDB:3WEH
source Swiss-Prot : SWS_FT_FI3

25) chain A
residue 83
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:24531458, ECO:0007744|PDB:3WEG, ECO:0007744|PDB:3WEH
source Swiss-Prot : SWS_FT_FI3

26) chain A
residue 84
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:24531458, ECO:0007744|PDB:3WEG, ECO:0007744|PDB:3WEH
source Swiss-Prot : SWS_FT_FI3

27) chain A
residue 171-186
type prosite
sequence YCHYVAGLVGIGLSRL
description SQUALEN_PHYTOEN_SYN_1 Squalene and phytoene synthases signature 1. YChyVAGLVGigLsrL
source prosite : PS01044

28) chain A
residue 207-232
type prosite
sequence MGLFLQKTNIIRDYLEDQQGGREFWP
description SQUALEN_PHYTOEN_SYN_2 Squalene and phytoene synthases signature 2. MGlflQkt.NIiRDYleDqqgg...ReFwP
source prosite : PS01045


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