eF-site ID 1onz-A
PDB Code 1onz
Chain A

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Title Oxalyl-aryl-Amino Benzoic acid Inhibitors of PTP1B, compound 8b
Classification HYDROLASE
Compound Protein-tyrosine phosphatase, non-receptor type 1
Source null (PTN1_HUMAN)
Sequence A:  EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNK
NRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSY
ILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKC
AQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELE
NLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRES
GSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDP
SSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFI
MGD
Description


Functional site

1) chain A
residue 46
type
sequence Y
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

2) chain A
residue 120
type
sequence K
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

3) chain A
residue 179
type
sequence W
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

4) chain A
residue 215
type
sequence C
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

5) chain A
residue 216
type
sequence S
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

6) chain A
residue 217
type
sequence A
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

7) chain A
residue 218
type
sequence G
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

8) chain A
residue 219
type
sequence I
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

9) chain A
residue 220
type
sequence G
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

10) chain A
residue 221
type
sequence R
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

11) chain A
residue 262
type
sequence Q
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

12) chain A
residue 263
type
sequence T
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

13) chain A
residue 266
type
sequence Q
description BINDING SITE FOR RESIDUE 968 A 322
source : AC1

14) chain A
residue 215
type CROSSLNK
sequence C
description N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269|PubMed:12802338, ECO:0000269|PubMed:12802339
source Swiss-Prot : SWS_FT_FI10

15) chain A
residue 216
type CROSSLNK
sequence S
description N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269|PubMed:12802338, ECO:0000269|PubMed:12802339
source Swiss-Prot : SWS_FT_FI10

16) chain A
residue 181
type BINDING
sequence D
description
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 215
type BINDING
sequence C
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3

18) chain A
residue 262
type BINDING
sequence Q
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3

19) chain A
residue 20
type MOD_RES
sequence Y
description Phosphotyrosine => ECO:0007744|PubMed:15592455
source Swiss-Prot : SWS_FT_FI5

20) chain A
residue 50
type MOD_RES
sequence S
description Phosphoserine; by PKB/AKT1, CLK1 and CLK2 => ECO:0000269|PubMed:10480872, ECO:0000269|PubMed:11579209, ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI6

21) chain A
residue 66
type MOD_RES
sequence Y
description Phosphotyrosine; by EGFR => ECO:0000269|PubMed:9355745
source Swiss-Prot : SWS_FT_FI7

22) chain A
residue 215
type MOD_RES
sequence C
description S-nitrosocysteine; in reversibly inhibited form => ECO:0000269|PubMed:22169477
source Swiss-Prot : SWS_FT_FI8

23) chain A
residue 243
type MOD_RES
sequence S
description Phosphoserine; by CLK1 and CLK2 => ECO:0000269|PubMed:10480872
source Swiss-Prot : SWS_FT_FI9

24) chain A
residue 242
type MOD_RES
sequence S
description Phosphoserine; by CLK1 and CLK2 => ECO:0000269|PubMed:10480872
source Swiss-Prot : SWS_FT_FI9

25) chain A
residue 181
type catalytic
sequence D
description 469
source MCSA : MCSA1

26) chain A
residue 215
type catalytic
sequence C
description 469
source MCSA : MCSA1

27) chain A
residue 221
type catalytic
sequence R
description 469
source MCSA : MCSA1

28) chain A
residue 222
type catalytic
sequence S
description 469
source MCSA : MCSA1

29) chain A
residue 262
type catalytic
sequence Q
description 469
source MCSA : MCSA1

30) chain A
residue 213-223
type prosite
sequence VHCSAGIGRSG
description TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG
source prosite : PS00383

31) chain A
residue 215
type ACT_SITE
sequence C
description Phosphocysteine intermediate
source Swiss-Prot : SWS_FT_FI1


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