1OII

crystal structure of the alkylsulfatase atsk, a non-heme fe(ii) alphaketoglutarate dependent dioxygenase in complex with iron and alphaketoglutarate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 99
  • Norm. En. per Res.: -3.2598
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-8.8608	8.6629	-69.3931	-69.5911	46	2	1	3293	0	8	8
A-D	-76.2742	9.2487	-255.695	-322.7205	99	9	6	9554	0	44	35
B-C	-71.0179	9.3176	-254.566	-316.2663	98	11	6	9541	0	44	38

Interface residues

• A-B: ALA128A, ALA128B, ARG103A, ARG103B, ARG124A, ARG124B, ARG275A, ARG275B, ARG278A, ARG278B, ASP64A, ASP64B, ASP65A, ASP65B, ASP88A, ASP88B, ASP97A, ASP97B, GLN273A, GLN273B, GLN66A, GLN66B, GLN95A, GLN95B, GLY271A, GLY271B, GLY89A, GLY89B, ILE276A, ILE276B, LEU93A, LEU93B, PRO274A, PRO274B, THR272A, THR272B, THR90A, THR90B, VAL126A, VAL126B, VAL127A, VAL127B, VAL86A, VAL86B, VAL87A, VAL87B
• A-D: ALA104A, ALA104D, ALA130A, ALA130D, ALA138A, ALA138D, ALA21A, ALA21D, ALA266A, ALA266D, ALA26A, ALA26D, ARG103A, ARG103D, ARG23A, ARG23D, ARG240A, ARG240D, ARG246A, ARG246D, ARG248A, ARG248D, ARG29A, ARG29D, ARG51A, ASN105A, ASN105D, ASN243A, ASN243D, ASP134A, ASP134D, ASP268A, ASP268D, ASP269A, ASP269D, GLN273A, GLN273D, GLU242A, GLU242D, GLU250A, GLU250D, GLU27A, GLU27D, GLY132A, GLY132D, GLY133A, GLY133D, GLY22A, GLY22D, GLY25A, GLY25D, GLY271A, GLY271D, HIS18A, HIS18D, HIS229A, HIS229D, HIS264A, HIS264D, HIS52A, HIS52D, ILE24A, ILE24D, LEU241A, LEU241D, PHE56A, PHE56D, PRO129A, PRO129D, PRO19A, PRO19D, SER106A, SER106D, SER131A, SER131D, THR135A, THR135D, THR239A, THR239D, THR244A, THR244D, TRP107A, TRP107D, TRP137A, TRP137D, TRP247A, TRP247D, TYR265A, TYR265D, TYR270A, TYR270D, VAL136A, VAL136D, VAL20A, VAL20D, VAL245A, VAL245D, VAL267A, VAL267D
• B-C: ALA104B, ALA104C, ALA130B, ALA130C, ALA138B, ALA138C, ALA21B, ALA21C, ALA266B, ALA266C, ALA26B, ALA26C, ARG103B, ARG103C, ARG23B, ARG23C, ARG240B, ARG240C, ARG246B, ARG246C, ARG248B, ARG248C, ARG29B, ARG29C, ASN105B, ASN105C, ASN243B, ASN243C, ASP134B, ASP134C, ASP268B, ASP268C, ASP269B, ASP269C, GLN273B, GLN273C, GLU242B, GLU242C, GLU250B, GLU250C, GLU27B, GLU27C, GLY132B, GLY132C, GLY133B, GLY133C, GLY22B, GLY22C, GLY25B, GLY25C, GLY271B, GLY271C, HIS18B, HIS18C, HIS229B, HIS229C, HIS264B, HIS264C, HIS52B, HIS52C, ILE24B, ILE24C, LEU241B, LEU241C, PHE56B, PHE56C, PRO129B, PRO129C, PRO19B, PRO19C, SER106B, SER106C, SER131B, SER131C, THR135B, THR135C, THR239B, THR239C, THR244B, THR244C, TRP107B, TRP107C, TRP137B, TRP137C, TRP247B, TRP247C, TYR265B, TYR265C, TYR270B, TYR270C, VAL136B, VAL136C, VAL20B, VAL20C, VAL245B, VAL245C, VAL267B, VAL267C