eF-site ID 1d5z-ABC
PDB Code 1d5z
Chain A, B, C

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Title X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB
Classification IMMUNE SYSTEM/PEPTIDE INHIBITOR
Compound PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN)
Source ORGANISM_SCIENTIFIC: Staphylococcus aureus;
Sequence A:  EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETV
WRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPI
TNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWL
RNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYD
CRVEHWGLDEPLLKHWEF
B:  GDTRPRFLEQVKHECHFFNGTERVRFLDRYFYHQEEYVRF
DSDVGEYRAVTELGRPDAEYWNSQKDLLEQKRAAVDTYCR
HNYGVGESFTVQRRVYPEVTVYPALLVCSVNGFYPGSIEV
RWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGE
VYTCQVEHPSLTSPLTVEWRA
C:  SQPDPKPDELHKSSKFTGLMENMKVLYDDNHVSAINVKSI
DQFLYFDLIYSIKDTKLGNYDNVRVEFKNKDLADKYKDKY
VDVFGANYYYQCYFSKKKRKTCMYGGVTEHNGNQLDKYRS
ITVRVFEDGKNLLSFDVQTNKKKVTAQELDYLTRHYLVKN
KKLYEFNNSPYETGYIKFIENENSFWYDMMPAPGDKFDQS
KYLMMYNDNKMVDSKDVKIEVYLTTK
Description


Functional site

1) chain A
residue 9
type
sequence Q
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

2) chain A
residue 11
type
sequence E
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

3) chain A
residue 24
type
sequence F
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

4) chain A
residue 32
type
sequence F
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

5) chain A
residue 43
type
sequence W
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

6) chain A
residue 53
type
sequence S
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

7) chain A
residue 54
type
sequence F
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

8) chain A
residue 62
type
sequence N
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

9) chain A
residue 65
type
sequence V
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

10) chain A
residue 66
type
sequence D
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

11) chain A
residue 69
type
sequence N
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

12) chain A
residue 179
type
sequence E
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

13) chain B
residue 13
type
sequence H
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

14) chain B
residue 30
type
sequence Y
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

15) chain B
residue 47
type
sequence Y
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

16) chain B
residue 61
type
sequence W
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

17) chain B
residue 67
type
sequence L
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

18) chain B
residue 71
type
sequence K
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

19) chain B
residue 77
type
sequence T
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

20) chain B
residue 78
type
sequence Y
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

21) chain B
residue 81
type
sequence H
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

22) chain B
residue 82
type
sequence N
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

23) chain B
residue 85
type
sequence V
description BINDING SITE FOR CHAIN D OF PROTEIN (PEPTIDOMIMETIC INHIBITOR)
source : AC1

24) chain A
residue 55
type SITE
sequence E
description Pathogen-derived peptide antigen => ECO:0000269|PubMed:23260142, ECO:0007744|PDB:4GBX
source Swiss-Prot : SWS_FT_FI5

25) chain A
residue 62
type SITE
sequence N
description Self- and pathogen-derived peptide antigen => ECO:0000269|PubMed:17583734, ECO:0000269|PubMed:21115828, ECO:0000269|PubMed:23260142, ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819, ECO:0007744|PDB:4GBX
source Swiss-Prot : SWS_FT_FI6

26) chain A
residue 69
type SITE
sequence N
description Pathogen-derived peptide antigen => ECO:0000269|PubMed:17583734, ECO:0000269|PubMed:21115828, ECO:0000269|PubMed:23260142, ECO:0000269|PubMed:8145819, ECO:0007744|PDB:4FQX, ECO:0007744|PDB:4GBX
source Swiss-Prot : SWS_FT_FI7

27) chain A
residue 76
type SITE
sequence R
description Self- and pathogen-derived peptide antigen => ECO:0000269|PubMed:17583734, ECO:0000269|PubMed:23260142, ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819, ECO:0007744|PDB:4FQX, ECO:0007744|PDB:4GBX
source Swiss-Prot : SWS_FT_FI8

28) chain A
residue 78
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7477400
source Swiss-Prot : SWS_FT_FI9

29) chain A
residue 118
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:7477400
source Swiss-Prot : SWS_FT_FI9

30) chain B
residue 57
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI1

31) chain B
residue 61
type BINDING
sequence W
description BINDING => ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI1

32) chain B
residue 81
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI1

33) chain B
residue 82
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI1

34) chain B
residue 93
type BINDING
sequence R
description BINDING => ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI2

35) chain A
residue 52
type BINDING
sequence A
description BINDING => ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI2

36) chain B
residue 19
type CARBOHYD
sequence N
description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19303388, ECO:0000269|PubMed:24190431
source Swiss-Prot : SWS_FT_FI3

37) chain A
residue 53
type SITE
sequence S
description Self- and pathogen-derived peptide antigen => ECO:0000269|PubMed:17583734, ECO:0000269|PubMed:21115828, ECO:0000269|PubMed:31619516, ECO:0000269|PubMed:8145819
source Swiss-Prot : SWS_FT_FI4

38) chain C
residue 115-124
type prosite
sequence YGGVTEHNGN
description STAPH_STREP_TOXIN_1 Staphylococcal enterotoxin/Streptococcal pyrogenic exotoxin signature 1. YGGVTEHngN
source prosite : PS00277

39) chain C
residue 152-175
type prosite
sequence KKKVTAQELDYLTRHYLVKNKKLY
description STAPH_STREP_TOXIN_2 Staphyloccocal enterotoxin/Streptococcal pyrogenic exotoxin signature 2. KkkVtaqeLDyltRhyLvknkkLY
source prosite : PS00278

40) chain A
residue 161-167
type prosite
sequence YDCRVEH
description IG_MHC Immunoglobulins and major histocompatibility complex proteins signature. YDCRVEH
source prosite : PS00290

41) chain B
residue 171-177
type prosite
sequence YTCQVEH
description IG_MHC Immunoglobulins and major histocompatibility complex proteins signature. YDCRVEH
source prosite : PS00290


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