|
|
eF-site ID
|
4zx3-A |
|
PDB Code
|
4zx3 |
|
Chain
|
A |
|
click to enlarge
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Title
|
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b |
|
Classification
|
HYDROLASE/HYDROLASE INHIBITOR |
|
Compound
|
M1 family aminopeptidase |
|
Source
|
(AMP1_PLAFQ) |
|
|
Sequence
|
A: |
PKIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDI
SKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEF
LTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIV
SQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLS
NGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHL
SATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAF
DEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSL
LASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQL
TLKEGLTVHRENLFSEEMTKTVTTRLSHVDLLRSVQFLED
SSPLSHPIRPESYVSMENFYTTTVYDKGSEVMRMYLTILG
EEYYKKGFDIYIKKNDGNTATCEDFNYAMEQAYKMKKADN
SANLNQYLLWFSQSGTPHVSFKYNYDAEKKQYSIHVNQYT
KPDENQKEKKPLFIPISVGLINPENGKEMISQTTLELTKE
SDTFVFNNIAVKPIPSLFRGFSAPVYIEDQLTDEERILLL
KYDSDAFVRYNSCTNIYMKQILMNYNEFLKAKNEKLESFQ
LTPVNAQFIDAIKYLLEDPHADAGFKSYIVSLPQDRYIIN
FVSNLDTDVLADTKEYIYKQIGDKLNDVYYKMFKSLEAKA
DDLTYFNDESHVDFDQMNMRTLRNTLLSLLSKAQYPNILN
EIIEHSKSPYPSNWLTSLSVSAYFDKYFELYDKTYKLSKD
DELLLQEWLKTVSRSDRKDIYEILKKLENEVLKDSKNPND
IRAVYLPFTNNLRRFHDISGKGYKLIAEVITKTDKFNPMV
ATQLCEPFKLWNKLDTKRQELMLNEMNTMLQEPQISNNLK
EYLLRLTNK
|
|
|
Description
|
|
Functional site
|
|
|
1)
|
chain |
A |
| residue |
496 |
| type |
|
| sequence |
H
|
| description |
binding site for residue ZN A 1101
|
| source |
: AC1
|
|
|
2)
|
chain |
A |
| residue |
500 |
| type |
|
| sequence |
H
|
| description |
binding site for residue ZN A 1101
|
| source |
: AC1
|
|
|
3)
|
chain |
A |
| residue |
519 |
| type |
|
| sequence |
E
|
| description |
binding site for residue ZN A 1101
|
| source |
: AC1
|
|
|
4)
|
chain |
A |
| residue |
459 |
| type |
|
| sequence |
V
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
5)
|
chain |
A |
| residue |
460 |
| type |
|
| sequence |
G
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
6)
|
chain |
A |
| residue |
461 |
| type |
|
| sequence |
A
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
7)
|
chain |
A |
| residue |
463 |
| type |
|
| sequence |
E
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
8)
|
chain |
A |
| residue |
489 |
| type |
|
| sequence |
R
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
9)
|
chain |
A |
| residue |
496 |
| type |
|
| sequence |
H
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
10)
|
chain |
A |
| residue |
497 |
| type |
|
| sequence |
E
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
11)
|
chain |
A |
| residue |
500 |
| type |
|
| sequence |
H
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
12)
|
chain |
A |
| residue |
519 |
| type |
|
| sequence |
E
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
13)
|
chain |
A |
| residue |
575 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
14)
|
chain |
A |
| residue |
580 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue 4TK A 1102
|
| source |
: AC2
|
|
|
15)
|
chain |
A |
| residue |
250 |
| type |
|
| sequence |
G
|
| description |
binding site for residue MG A 1103
|
| source |
: AC3
|
|
|
16)
|
chain |
A |
| residue |
572 |
| type |
|
| sequence |
E
|
| description |
binding site for residue DMS A 1105
|
| source |
: AC5
|
|
|
17)
|
chain |
A |
| residue |
573 |
| type |
|
| sequence |
N
|
| description |
binding site for residue DMS A 1105
|
| source |
: AC5
|
|
|
18)
|
chain |
A |
| residue |
575 |
| type |
|
| sequence |
Y
|
| description |
binding site for residue DMS A 1105
|
| source |
: AC5
|
|
|
19)
|
chain |
A |
| residue |
759 |
| type |
|
| sequence |
S
|
| description |
binding site for residue DMS A 1106
|
| source |
: AC6
|
|
|
20)
|
chain |
A |
| residue |
761 |
| type |
|
| sequence |
A
|
| description |
binding site for residue DMS A 1106
|
| source |
: AC6
|
|
|
21)
|
chain |
A |
| residue |
764 |
| type |
|
| sequence |
R
|
| description |
binding site for residue DMS A 1106
|
| source |
: AC6
|
|
|
22)
|
chain |
A |
| residue |
496 |
| type |
BINDING |
| sequence |
H
|
| description |
BINDING => ECO:0000269|PubMed:19196988, ECO:0000269|PubMed:21366301, ECO:0000269|PubMed:21844374, ECO:0000269|PubMed:23713488, ECO:0000269|PubMed:23897806, ECO:0000269|PubMed:25299353, ECO:0000269|PubMed:25645579, ECO:0000269|PubMed:26406322, ECO:0000269|PubMed:26807544, ECO:0000269|PubMed:30537832, ECO:0000269|PubMed:32182520, ECO:0000269|Ref.21, ECO:0000269|DOI:10.1016/j.cclet.2021.09.102, ECO:0000312|PDB:3T8V, ECO:0000312|PDB:5Y1Q, ECO:0007744|PDB:3EBG, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43, ECO:0007744|PDB:3Q44, ECO:0007744|PDB:4J3B, ECO:0007744|PDB:4K5L, ECO:0007744|PDB:4K5M, ECO:0007744|PDB:4K5N, ECO:0007744|PDB:4K5O, ECO:0007744|PDB:4K5P, ECO:0007744|PDB:4R5T, ECO:0007744|PDB:4R5V, ECO:0007744|PDB:4R5X, ECO:0007744|PDB:4X2U, ECO:0007744|PDB:4ZQT, ECO:0007744|PDB:4ZW3, ECO:0007744|PDB:4ZW5, ECO:0007744|PDB:4ZW6, ECO:0007744|PDB:4ZW7, ECO:0007744|PDB:4ZW8, ECO:0007744|PDB:4ZX3, ECO:0007744|PDB:4ZX4, ECO:0007744|PDB:4ZX5, ECO:0007744|PDB:4ZX6, ECO:0007744|PDB:5XM7, ECO:0007744|PDB:5Y19, ECO:0007744|PDB:5Y1H, ECO:0007744|PDB:5Y1K, ECO:0007744|PDB:5Y1R, ECO:0007744|PDB:5Y1S, ECO:0007744|PDB:5Y1T, ECO:0007744|PDB:5Y1V, ECO:0007744|PDB:5Y1W, ECO:0007744|PDB:5Y1X, ECO:0007744|PDB:5Y3I, ECO:0007744|PDB:6EA1, ECO:0007744|PDB:6EA2, ECO:0007744|PDB:6EAA, ECO:0007744|PDB:6EAB, ECO:0007744|PDB:6EE3, ECO:0007744|PDB:6EE4, ECO:0007744|PDB:6EE6, ECO:0007744|PDB:6EED, ECO:0007744|PDB:6SBQ, ECO:0007744|PDB:6SBR
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
23)
|
chain |
A |
| residue |
500 |
| type |
BINDING |
| sequence |
H
|
| description |
BINDING => ECO:0000269|PubMed:19196988, ECO:0000269|PubMed:21366301, ECO:0000269|PubMed:21844374, ECO:0000269|PubMed:23713488, ECO:0000269|PubMed:23897806, ECO:0000269|PubMed:25299353, ECO:0000269|PubMed:25645579, ECO:0000269|PubMed:26406322, ECO:0000269|PubMed:26807544, ECO:0000269|PubMed:30537832, ECO:0000269|PubMed:32182520, ECO:0000269|Ref.21, ECO:0000269|DOI:10.1016/j.cclet.2021.09.102, ECO:0000312|PDB:3T8V, ECO:0000312|PDB:5Y1Q, ECO:0007744|PDB:3EBG, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43, ECO:0007744|PDB:3Q44, ECO:0007744|PDB:4J3B, ECO:0007744|PDB:4K5L, ECO:0007744|PDB:4K5M, ECO:0007744|PDB:4K5N, ECO:0007744|PDB:4K5O, ECO:0007744|PDB:4K5P, ECO:0007744|PDB:4R5T, ECO:0007744|PDB:4R5V, ECO:0007744|PDB:4R5X, ECO:0007744|PDB:4X2U, ECO:0007744|PDB:4ZQT, ECO:0007744|PDB:4ZW3, ECO:0007744|PDB:4ZW5, ECO:0007744|PDB:4ZW6, ECO:0007744|PDB:4ZW7, ECO:0007744|PDB:4ZW8, ECO:0007744|PDB:4ZX3, ECO:0007744|PDB:4ZX4, ECO:0007744|PDB:4ZX5, ECO:0007744|PDB:4ZX6, ECO:0007744|PDB:5XM7, ECO:0007744|PDB:5Y19, ECO:0007744|PDB:5Y1H, ECO:0007744|PDB:5Y1K, ECO:0007744|PDB:5Y1R, ECO:0007744|PDB:5Y1S, ECO:0007744|PDB:5Y1T, ECO:0007744|PDB:5Y1V, ECO:0007744|PDB:5Y1W, ECO:0007744|PDB:5Y1X, ECO:0007744|PDB:5Y3I, ECO:0007744|PDB:6EA1, ECO:0007744|PDB:6EA2, ECO:0007744|PDB:6EAA, ECO:0007744|PDB:6EAB, ECO:0007744|PDB:6EE3, ECO:0007744|PDB:6EE4, ECO:0007744|PDB:6EE6, ECO:0007744|PDB:6EED, ECO:0007744|PDB:6SBQ, ECO:0007744|PDB:6SBR
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
24)
|
chain |
A |
| residue |
519 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000269|PubMed:19196988, ECO:0000269|PubMed:21366301, ECO:0000269|PubMed:21844374, ECO:0000269|PubMed:23713488, ECO:0000269|PubMed:23897806, ECO:0000269|PubMed:25299353, ECO:0000269|PubMed:25645579, ECO:0000269|PubMed:26406322, ECO:0000269|PubMed:26807544, ECO:0000269|PubMed:30537832, ECO:0000269|PubMed:32182520, ECO:0000269|Ref.21, ECO:0000269|DOI:10.1016/j.cclet.2021.09.102, ECO:0000312|PDB:3T8V, ECO:0000312|PDB:5Y1Q, ECO:0007744|PDB:3EBG, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43, ECO:0007744|PDB:3Q44, ECO:0007744|PDB:4J3B, ECO:0007744|PDB:4K5L, ECO:0007744|PDB:4K5M, ECO:0007744|PDB:4K5N, ECO:0007744|PDB:4K5O, ECO:0007744|PDB:4K5P, ECO:0007744|PDB:4R5T, ECO:0007744|PDB:4R5V, ECO:0007744|PDB:4R5X, ECO:0007744|PDB:4X2U, ECO:0007744|PDB:4ZQT, ECO:0007744|PDB:4ZW3, ECO:0007744|PDB:4ZW5, ECO:0007744|PDB:4ZW6, ECO:0007744|PDB:4ZW7, ECO:0007744|PDB:4ZW8, ECO:0007744|PDB:4ZX3, ECO:0007744|PDB:4ZX4, ECO:0007744|PDB:4ZX5, ECO:0007744|PDB:4ZX6, ECO:0007744|PDB:5XM7, ECO:0007744|PDB:5Y19, ECO:0007744|PDB:5Y1H, ECO:0007744|PDB:5Y1K, ECO:0007744|PDB:5Y1R, ECO:0007744|PDB:5Y1S, ECO:0007744|PDB:5Y1T, ECO:0007744|PDB:5Y1V, ECO:0007744|PDB:5Y1W, ECO:0007744|PDB:5Y1X, ECO:0007744|PDB:5Y3I, ECO:0007744|PDB:6EA1, ECO:0007744|PDB:6EA2, ECO:0007744|PDB:6EAA, ECO:0007744|PDB:6EAB, ECO:0007744|PDB:6EE3, ECO:0007744|PDB:6EE4, ECO:0007744|PDB:6EE6, ECO:0007744|PDB:6EED, ECO:0007744|PDB:6SBQ, ECO:0007744|PDB:6SBR
|
| source |
Swiss-Prot : SWS_FT_FI4
|
|
|
25)
|
chain |
A |
| residue |
459 |
| type |
SITE |
| sequence |
V
|
| description |
Important for substrate specificity => ECO:0000269|PubMed:23897806
|
| source |
Swiss-Prot : SWS_FT_FI5
|
|
|
26)
|
chain |
A |
| residue |
580 |
| type |
SITE |
| sequence |
Y
|
| description |
Transition state stabilizer => ECO:0000250|UniProtKB:P15144
|
| source |
Swiss-Prot : SWS_FT_FI6
|
|
|
27)
|
chain |
A |
| residue |
795 |
| type |
SITE |
| sequence |
Q
|
| description |
Cleavage => ECO:0000305|PubMed:21659511
|
| source |
Swiss-Prot : SWS_FT_FI7
|
|
|
28)
|
chain |
A |
| residue |
497 |
| type |
ACT_SITE |
| sequence |
E
|
| description |
Proton acceptor => ECO:0000250|UniProtKB:P15144
|
| source |
Swiss-Prot : SWS_FT_FI1
|
|
|
29)
|
chain |
A |
| residue |
493-502 |
| type |
prosite |
| sequence |
VVGHEYFHQY
|
| description |
ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VVGHEYFHQY
|
| source |
prosite : PS00142
|
|
|
30)
|
chain |
A |
| residue |
463 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
31)
|
chain |
A |
| residue |
319 |
| type |
BINDING |
| sequence |
E
|
| description |
BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
32)
|
chain |
A |
| residue |
460 |
| type |
BINDING |
| sequence |
G
|
| description |
BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43
|
| source |
Swiss-Prot : SWS_FT_FI2
|
|
|
33)
|
chain |
A |
| residue |
461 |
| type |
BINDING |
| sequence |
A
|
| description |
BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3Q43
|
| source |
Swiss-Prot : SWS_FT_FI3
|
|
|
|