3V17

crystal structure of the fe(ii)/alpha-ketoglutarate dependent taurine dioxygenase from pseudomonas putida kt2440

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 72
  • Norm. En. per Res.: -2.2847
• 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-C	-17.2262	13.9921	-151.866	-155.1001	72	5	5	7248	0	22	17
A-B	0.0	-6.2832	-51.0545	-57.3377	62	6	0	3101	2	34	29
A-D	-5.6781	29.4064	-214.817	-191.0886	96	4	2	8798	0	33	34
C-B	-7.8185	29.5332	-220.564	-198.8493	96	3	2	8962	0	33	34
C-D	0.0	24.6318	-24.9282	-0.2964	57	2	0	1830	0	33	26
B-D	-18.7516	14.1867	-159.932	-164.4969	72	4	5	7368	0	22	17

Interface residues

• A-C: ALA132A, ALA132C, ALA135A, ALA135C, ALA138A, ALA138C, ALA218A, ALA218C, ALA225A, ALA225C, ARG141A, ARG141C, ARG207A, ARG207C, ARG221A, ARG221C, ARG229A, ARG229C, ASN209A, ASN209C, ASP217A, ASP217C, GLU142A, GLU142C, GLU210A, GLU210C, GLU213A, GLU213C, GLU215A, GLU215C, GLU231A, GLU231C, HIS226A, HIS226C, ILE208A, ILE208C, LEU136A, LEU136C, LEU140A, LEU140C, LEU144A, LEU144C, LEU147A, LEU147C, LEU211A, LEU211C, LEU214A, LEU214C, LEU219A, LEU219C, LEU220A, LEU220C, LEU222A, LEU222C, LEU223A, LEU223C, MET143A, MET143C, PHE232A, PHE232C, PRO139A, PRO139C, PRO230A, PRO230C, SER137A, SER137C, SER212A, SER212C, SER216A, SER216C, THR148A, THR148C
• A-B: ALA170A, ALA170B, ALA174A, ALA174B, ALA218A, ALA218B, ALA94A, ALA94B, ARG161B, ARG171A, ARG176A, ARG176B, ARG177A, ARG177B, ARG207A, ARG207B, ARG221A, ARG221B, ASN178B, ASN179B, ASP152A, ASP152B, ASP217A, ASP217B, GLN167A, GLU160A, GLU160B, GLU173A, GLU173B, GLU202A, GLU202B, GLU213A, LEU159A, LEU159B, LEU169A, LEU169B, LEU214A, LEU214B, LYS155B, PHE254A, PHE254B, PRO158B, PRO166A, PRO166B, PRO180A, PRO180B, PRO181A, PRO181B, SER156B, THR150A, THR150B, THR154A, THR154B, THR164A, THR164B, THR165A, THR175B, THR206B, TRP172A, TRP172B, VAL95A, VAL95B
• A-D: ALA119A, ALA119D, ALA11A, ALA11D, ALA127A, ALA127D, ALA14A, ALA14D, ALA225A, ALA225D, ALA255A, ALA255D, ALA94A, ALA94D, ARG221A, ARG221D, ARG229A, ARG229D, ARG235A, ARG235D, ARG237A, ARG237D, ARG260A, ARG260D, ARG46A, ARG46D, ARG91A, ARG91D, ASN262A, ASN262D, ASP123A, ASP123D, ASP257A, ASP257D, ASP258A, ASP258D, GLN15A, GLN15D, GLN239A, GLN39A, GLU231A, GLU231D, GLY121A, GLY121D, GLY122A, GLY122D, GLY13A, GLY13D, HIS40A, HIS40D, ILE234A, ILE234D, LEU125A, LEU125D, LEU12A, LEU12D, LEU8A, LEU8D, PHE232A, PHE232D, PHE254A, PHE254D, PHE44A, PHE44D, PRO10A, PRO10D, PRO118A, PRO118D, PRO230A, PRO230D, PRO7A, PRO7D, SER233A, SER233D, SER9A, SER9D, THR124A, THR124D, THR228A, THR228D, THR6A, THR6D, TRP126A, TRP126D, TRP236A, TRP236D, TRP96A, TRP96D, TYR120A, TYR120D, TYR259A, TYR259D, VAL256A, VAL256D, VAL95A, VAL95D
• C-B: ALA119B, ALA119C, ALA11B, ALA11C, ALA127B, ALA127C, ALA131B, ALA131C, ALA14B, ALA14C, ALA225B, ALA225C, ALA255B, ALA255C, ALA94B, ALA94C, ARG221B, ARG221C, ARG229B, ARG229C, ARG235B, ARG235C, ARG237B, ARG237C, ARG260B, ARG260C, ARG46B, ARG46C, ARG91C, ASN262B, ASN262C, ASP123B, ASP123C, ASP257B, ASP257C, ASP258B, ASP258C, GLN15B, GLN15C, GLN39C, GLU231B, GLU231C, GLY121B, GLY121C, GLY122B, GLY122C, GLY13B, GLY13C, HIS40B, HIS40C, ILE234B, ILE234C, LEU125B, LEU125C, LEU12B, LEU12C, LEU8B, LEU8C, PHE232B, PHE232C, PHE254B, PHE254C, PHE44B, PHE44C, PRO10B, PRO10C, PRO118B, PRO118C, PRO230B, PRO230C, PRO7B, PRO7C, SER233B, SER233C, SER9B, SER9C, THR124B, THR124C, THR228B, THR228C, THR6B, THR6C, TRP126B, TRP126C, TRP236B, TRP236C, TRP96B, TRP96C, TYR120B, TYR120C, TYR259B, TYR259C, VAL256B, VAL256C, VAL95B, VAL95C
• C-D: ALA170C, ALA218C, ALA218D, ALA94C, ALA94D, ARG161D, ARG176C, ARG176D, ARG177C, ARG177D, ARG207C, ARG221C, ARG221D, ASN209C, ASP152C, ASP152D, ASP217C, ASP217D, ASP92C, GLU160C, GLU160D, GLU173C, GLU173D, GLU202C, GLU202D, GLU213C, GLU213D, GLY163C, GLY163D, LEU159C, LEU159D, LEU169C, LEU169D, LEU214C, LEU214D, LYS155C, LYS155D, PHE254C, PHE254D, PRO158C, PRO158D, PRO166D, PRO180C, PRO180D, PRO181C, PRO181D, SER156C, THR150C, THR150D, THR154C, THR154D, THR164C, THR206C, TRP172C, TRP172D, VAL95C, VAL95D
• B-D: ALA132B, ALA132D, ALA135B, ALA135D, ALA138B, ALA138D, ALA218B, ALA218D, ALA225B, ALA225D, ARG141B, ARG141D, ARG207B, ARG207D, ARG221B, ARG221D, ARG229B, ARG229D, ASN209B, ASN209D, ASP217B, ASP217D, GLU142B, GLU142D, GLU210B, GLU210D, GLU213B, GLU213D, GLU215B, GLU215D, GLU231B, GLU231D, HIS226B, HIS226D, ILE208B, ILE208D, LEU136B, LEU136D, LEU140B, LEU140D, LEU144B, LEU144D, LEU147B, LEU147D, LEU211B, LEU211D, LEU214B, LEU214D, LEU219B, LEU219D, LEU220B, LEU220D, LEU222B, LEU222D, LEU223B, LEU223D, MET143B, MET143D, PHE232B, PHE232D, PRO139B, PRO139D, PRO230B, PRO230D, SER137B, SER137D, SER212B, SER212D, SER216B, SER216D, THR148B, THR148D