eF-site ID 1a4w-HIL
PDB Code 1a4w
Chain H, I, L

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Title CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound ALPHA-THROMBIN (SMALL SUBUNIT)
Source ORGANISM_COMMON: human; ORGANISM_SCIENTIFIC: Homo sapiens;
Sequence H:  IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLT
AAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM
LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL
PDRETAASLLQAGYKGRVTGWGNLKEGQPSVLQVVNLPIV
ERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGP
FVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKK
WIQKVIDQ
I:  DFEEIPEEX
L:  DCGLRPLFEKKSLEDKTERELLESYI
Description


Functional site

1) chain H
residue 57
type
sequence H
description ACTIVE SITE
source : CAT

2) chain H
residue 102
type
sequence D
description ACTIVE SITE
source : CAT

3) chain H
residue 195
type
sequence S
description ACTIVE SITE
source : CAT

4) chain H
residue 221
type
sequence D
description BINDING SITE FOR RESIDUE NA H 541
source : AC1

5) chain H
residue 224
type
sequence K
description BINDING SITE FOR RESIDUE NA H 541
source : AC1

6) chain H
residue 169
type
sequence K
description BINDING SITE FOR RESIDUE NA H 542
source : AC2

7) chain H
residue 172
type
sequence T
description BINDING SITE FOR RESIDUE NA H 542
source : AC2

8) chain H
residue 204
type
sequence P
description BINDING SITE FOR RESIDUE NA H 542
source : AC2

9) chain H
residue 57
type
sequence H
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

10) chain H
residue 60
type
sequence L
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

11) chain H
residue 60
type
sequence L
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

12) chain H
residue 60
type
sequence L
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

13) chain H
residue 97
type
sequence R
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

14) chain H
residue 99
type
sequence L
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

15) chain H
residue 189
type
sequence D
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

16) chain H
residue 190
type
sequence A
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

17) chain H
residue 215
type
sequence W
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

18) chain H
residue 216
type
sequence G
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

19) chain H
residue 219
type
sequence G
description BINDING SITE FOR RESIDUE QWE H 373
source : AC3

20) chain H
residue 34
type
sequence F
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

21) chain H
residue 67
type
sequence R
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

22) chain H
residue 73
type
sequence R
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

23) chain H
residue 74
type
sequence T
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

24) chain H
residue 75
type
sequence R
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

25) chain H
residue 76
type
sequence Y
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

26) chain H
residue 81
type
sequence K
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

27) chain H
residue 82
type
sequence I
description BINDING SITE FOR CHAIN I OF HIRUGEN
source : AC4

28) chain H
residue 53-58
type prosite
sequence LTAAHC
description TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
source prosite : PS00134

29) chain H
residue 189-200
type prosite
sequence DACEGDSGGPFV
description TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAceGDSGGPFV
source prosite : PS00135

30) chain I
residue 363
type MOD_RES
sequence X
description Sulfotyrosine => ECO:0000269|PubMed:3513162
source Swiss-Prot : SWS_FT_FI1

31) chain H
residue 102
type MOD_RES
sequence D
description Sulfotyrosine => ECO:0000269|PubMed:3513162
source Swiss-Prot : SWS_FT_FI1

32) chain H
residue 195
type MOD_RES
sequence S
description Sulfotyrosine => ECO:0000269|PubMed:3513162
source Swiss-Prot : SWS_FT_FI1

33) chain H
residue 60
type CARBOHYD
sequence L
description N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19139490, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:19838169, ECO:0000269|PubMed:873923
source Swiss-Prot : SWS_FT_FI2


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