1OIH

crystal structure of the alkylsulfatase atsk, a non-heme fe(ii) alphaketoglutarate dependent dioxygenase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 62
  • Norm. En. per Res.: -4.8924
• Hub Node: A(3)

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	-61.2048	-52.6691	-155.214	-269.0879	64	9	3	6899	5	20	28
A-C	0.0	0.0	-3.2673	-3.2673	13	1	0	169	0	4	3
A-D	-70.013	0.7889	-251.503	-320.7271	94	7	6	9502	0	41	37
B-C	-71.1132	0.8477	-241.945	-312.2105	92	9	6	9444	0	43	38
B-D	0.0	0.0	-3.3841	-3.3841	16	1	0	190	0	3	6
C-D	-74.9586	-70.0332	-158.34	-303.3318	62	10	3	7024	6	20	28

Interface residues

• A-B: ALA155A, ALA155B, ALA225A, ALA225B, ALA232A, ALA232B, ARG152A, ARG152B, ARG240A, ARG240B, ASP156A, ASP156B, ASP226A, ASP226B, GLN228A, GLN228B, GLU146A, GLU146B, GLU149A, GLU149B, GLU153A, GLU153B, GLY221A, GLY221B, GLY236A, GLY236B, HIS229A, HIS229B, HIS237A, HIS237B, ILE219A, ILE219B, LEU147A, LEU147B, LEU151A, LEU151B, LEU154A, LEU154B, LEU158A, LEU158B, LEU230A, LEU230B, LEU234A, LEU234B, LYS157A, LYS157B, LYS220A, LYS220B, PHE231A, PHE231B, PRO148A, PRO148B, PRO150A, PRO150B, SER223A, SER223B, SER227A, SER227B, TRP159A, TRP159B, TYR222A, TYR222B, VAL233A, VAL233B
• A-C: ALA232A, ALA232C, GLN228A, GLN228C, HIS214A, HIS214C, HIS229A, HIS229C, LEU224A, LEU224C, PHE231A, PHE231C, VAL216A
• A-D: ALA104A, ALA104D, ALA130A, ALA130D, ALA138A, ALA138D, ALA21A, ALA21D, ALA266A, ALA266D, ALA26A, ALA26D, ARG103A, ARG23A, ARG23D, ARG240A, ARG240D, ARG246A, ARG246D, ARG248A, ARG248D, ARG29A, ARG29D, ASN105A, ASN105D, ASN243A, ASN243D, ASP134A, ASP134D, ASP268A, ASP268D, ASP269A, ASP269D, GLN273A, GLN273D, GLU242A, GLU242D, GLU27A, GLU27D, GLY132A, GLY132D, GLY133A, GLY133D, GLY22A, GLY22D, GLY25A, GLY25D, GLY271A, GLY271D, HIS18A, HIS18D, HIS229A, HIS229D, HIS264A, HIS264D, HIS52A, HIS52D, ILE24A, ILE24D, LEU241A, LEU241D, 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, GLU27B, GLU27C, GLY132B, GLY132C, GLY133B, GLY133C, GLY22B, GLY22C, GLY25B, GLY25C, GLY271B, GLY271C, HIS18B, HIS18C, HIS229B, HIS229C, HIS264B, ILE24B, ILE24C, LEU241B, LEU241C, 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
• B-D: ALA232B, ALA232D, GLN228B, GLN228D, HIS214B, HIS214D, HIS229B, HIS229D, LEU224B, LEU224D, PHE231B, PHE231D, SER106B, SER106D, VAL216B, VAL216D
• C-D: ALA155C, ALA155D, ALA225C, ALA225D, ALA232C, ALA232D, ARG152C, ARG152D, ARG240C, ARG240D, ASP156C, ASP156D, ASP226C, ASP226D, GLN228C, GLN228D, GLU146C, GLU146D, GLU149C, GLU149D, GLU153C, GLU153D, GLY221C, GLY221D, GLY236C, GLY236D, HIS229C, HIS229D, HIS237C, HIS237D, LEU147C, LEU147D, LEU151C, LEU151D, LEU154C, LEU154D, LEU158C, LEU158D, LEU230C, LEU230D, LEU234C, LEU234D, LYS157C, LYS157D, LYS220C, LYS220D, PHE231C, PHE231D, PRO148C, PRO148D, PRO150C, PRO150D, SER223C, SER223D, SER227C, SER227D, TRP159C, TRP159D, TYR222C, TYR222D, VAL233C, VAL233D