1HDS

MACROMOLECULAR STRUCTURE REFINEMENT BY RESTRAINED LEAST-SQUARES AND INTERACTIVE GRAPHICS AS APPLIED TO SICKLING DEER TYPE III HEMOGLOBIN

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004601	molecular_function	peroxidase activity
A	0005344	molecular_function	oxygen carrier activity
A	0005833	cellular_component	hemoglobin complex
A	0015671	biological_process	oxygen transport
A	0019825	molecular_function	oxygen binding
A	0020037	molecular_function	heme binding
A	0031720	molecular_function	haptoglobin binding
A	0031838	cellular_component	haptoglobin-hemoglobin complex
A	0042744	biological_process	hydrogen peroxide catabolic process
A	0043177	molecular_function	organic acid binding
A	0046872	molecular_function	metal ion binding
A	0072562	cellular_component	blood microparticle
A	0098869	biological_process	cellular oxidant detoxification
B	0004601	molecular_function	peroxidase activity
B	0005344	molecular_function	oxygen carrier activity
B	0005833	cellular_component	hemoglobin complex
B	0015671	biological_process	oxygen transport
B	0019825	molecular_function	oxygen binding
B	0020037	molecular_function	heme binding
B	0031720	molecular_function	haptoglobin binding
B	0031721	molecular_function	hemoglobin alpha binding
B	0031838	cellular_component	haptoglobin-hemoglobin complex
B	0042744	biological_process	hydrogen peroxide catabolic process
B	0043177	molecular_function	organic acid binding
B	0046872	molecular_function	metal ion binding
B	0072562	cellular_component	blood microparticle
B	0098869	biological_process	cellular oxidant detoxification
C	0004601	molecular_function	peroxidase activity
C	0005344	molecular_function	oxygen carrier activity
C	0005833	cellular_component	hemoglobin complex
C	0015671	biological_process	oxygen transport
C	0019825	molecular_function	oxygen binding
C	0020037	molecular_function	heme binding
C	0031720	molecular_function	haptoglobin binding
C	0031838	cellular_component	haptoglobin-hemoglobin complex
C	0042744	biological_process	hydrogen peroxide catabolic process
C	0043177	molecular_function	organic acid binding
C	0046872	molecular_function	metal ion binding
C	0072562	cellular_component	blood microparticle
C	0098869	biological_process	cellular oxidant detoxification
D	0004601	molecular_function	peroxidase activity
D	0005344	molecular_function	oxygen carrier activity
D	0005833	cellular_component	hemoglobin complex
D	0015671	biological_process	oxygen transport
D	0019825	molecular_function	oxygen binding
D	0020037	molecular_function	heme binding
D	0031720	molecular_function	haptoglobin binding
D	0031721	molecular_function	hemoglobin alpha binding
D	0031838	cellular_component	haptoglobin-hemoglobin complex
D	0042744	biological_process	hydrogen peroxide catabolic process
D	0043177	molecular_function	organic acid binding
D	0046872	molecular_function	metal ion binding
D	0072562	cellular_component	blood microparticle
D	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEM A 142

Chain	Residue
A	THR39
A	VAL93
A	ASN97
A	LEU136
A	TYR42
A	PHE43
A	HIS58
A	LYS61
A	VAL62
A	LEU86
A	HIS87
A	LEU91

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE HEM B 146

Chain	Residue
B	PHE40
B	HIS43
B	HIS62
B	ARG65
B	PHE84
B	HIS91
B	LEU95
B	VAL97
B	ASN101
B	PHE102
B	LEU105

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM C 142

Chain	Residue
C	THR39
C	TYR42
C	PHE43
C	HIS45
C	HIS58
C	LEU83
C	LEU86
C	HIS87
C	LEU91
C	VAL93
C	ASN97
C	LEU101
C	ASP132

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE HEM D 146

Chain	Residue
D	PHE40
D	HIS43
D	HIS62
D	VAL66
D	HIS91
D	LYS94
D	LEU95
D	ASN101
D	PHE102
D	LEU105

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: distal binding residue => ECO:0000250|UniProtKB:P80044

Chain	Residue	Details
B	HIS62
D	HIS62

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: proximal binding residue => ECO:0000269|Ref.2, ECO:0007744|PDB:1HDS

Chain	Residue	Details
B	HIS91
D	HIS91

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P68871

Chain	Residue	Details
B	THR11
D	THR11
A	SER49
C	SER3
C	SER35
C	SER49

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P68871

Chain	Residue	Details
B	LYS58
B	LYS81
D	LYS58
D	LYS81
C	LYS11
C	LYS40

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P68871

Chain	Residue	Details
B	CYS92
D	CYS92

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:P69905

Chain	Residue	Details
A	TYR24
C	TYR24

---

site_id	SWS_FT_FI7
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P01942

Chain	Residue	Details
A	SER102
A	ASN124
A	SER138
C	SER102
C	ASN124
C	SER138

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P01942

Chain	Residue	Details
A	THR108
A	THR134
A	THR137
C	THR108
C	THR134
C	THR137

---