3V15

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.: 69
  • Norm. En. per Res.: -2.4582
• 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	-13.7411	-8.467	-142.707	-164.9152	71	4	5	6953	0	22	19
A-B	-11.6137	32.8719	-216.647	-195.3887	95	5	2	9010	0	28	29
A-D	0.0	-11.2747	-37.6385	-48.9132	54	9	0	1616	3	22	23
C-B	-3.9241	-7.0469	-18.3261	-29.297	35	4	0	938	4	20	15
C-D	-7.3667	25.0699	-205.238	-187.5348	96	3	2	8629	0	27	28
B-D	-23.5974	1.8835	-147.9	-169.614	69	6	5	7246	0	22	18

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, GLU231C, GLY146C, 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, PHE133A, PHE232A, PHE232C, PRO139A, PRO139C, SER137A, SER137C, SER212A, SER212C, SER216A, SER216C, THR148A, THR148C
• A-B: ALA119A, ALA119B, ALA11A, ALA11B, ALA127A, ALA127B, ALA14A, ALA14B, ALA225A, ALA225B, ALA255A, ALA255B, ALA94A, ALA94B, ARG229A, ARG229B, ARG235A, ARG235B, ARG237A, ARG237B, ARG260A, ARG260B, ARG46A, ARG46B, ARG91A, ASN262A, ASN262B, ASP123A, ASP123B, ASP257A, ASP257B, ASP258A, ASP258B, GLN15A, GLN15B, GLN39A, GLN39B, GLU202B, GLU231A, GLU231B, GLY121A, GLY121B, GLY122A, GLY122B, GLY13A, GLY13B, HIS40A, HIS40B, ILE234A, ILE234B, ILE5B, LEU125A, LEU125B, LEU12A, LEU12B, LEU8A, LEU8B, PHE232A, PHE232B, PHE254A, PHE254B, PHE44A, PHE44B, PRO10A, PRO10B, PRO118A, PRO118B, PRO230A, PRO230B, PRO7A, PRO7B, SER233A, SER233B, SER9A, SER9B, THR124A, THR124B, THR228A, THR228B, THR6A, THR6B, TRP126A, TRP126B, TRP236A, TRP236B, TRP96A, TRP96B, TYR120A, TYR120B, TYR259A, TYR259B, VAL256A, VAL256B, VAL95A, VAL95B
• A-D: ALA218A, ALA218D, ALA94A, ALA94D, ARG161A, ARG161D, ARG176A, ARG176D, ARG177D, ARG207A, ARG207D, ARG221A, ARG221D, ARG91D, ASN209A, ASN209D, ASP152D, ASP217A, ASP217D, GLU160A, GLU160D, GLU173D, GLU202A, GLU202D, GLU210A, GLU213A, GLU213D, GLU215A, HIS151D, ILE208A, LEU182D, LEU211A, LEU214A, LEU214D, LEU220D, LYS155A, PHE204D, PHE224D, PHE254A, PHE254D, PRO158A, PRO180D, PRO181D, SER183D, SER212A, SER216A, THR150A, THR150D, THR154D, THR164A, THR206D, TRP172D, VAL95A, VAL95D
• C-B: ALA218C, ALA94B, ARG161B, ARG161C, ARG176B, ARG176C, ARG177C, ARG207C, ARG221B, ARG221C, ASP217B, ASP217C, ASP92B, GLU160B, GLU173B, GLU173C, GLU202B, GLU202C, GLU213B, GLU213C, LEU159B, LEU159C, LEU169B, LEU169C, LEU214B, LEU214C, LEU220C, PHE254B, PRO158B, PRO158C, PRO181C, TRP172B, TRP172C, VAL95B, VAL95C
• C-D: ALA119C, ALA119D, ALA11C, ALA11D, ALA127C, ALA127D, ALA225C, ALA225D, ALA255C, ALA255D, ALA94C, ALA94D, ARG161D, ARG221C, ARG221D, ARG229C, ARG229D, ARG235C, ARG235D, ARG237C, ARG237D, ARG260C, ARG260D, ARG46C, ARG46D, ARG91D, ASN262C, ASN262D, ASN93D, ASP123C, ASP123D, ASP257C, ASP257D, ASP258C, ASP258D, GLN15C, GLN15D, GLU202D, GLU231C, GLU231D, GLY121C, GLY121D, GLY122C, GLY122D, GLY13C, GLY13D, HIS40C, HIS40D, ILE234C, ILE234D, ILE5D, LEU125C, LEU125D, LEU12C, LEU12D, LEU8C, LEU8D, PHE232C, PHE232D, PHE254C, PHE254D, PHE44C, PHE44D, PRO10C, PRO10D, PRO118C, PRO118D, PRO230C, PRO230D, PRO7C, PRO7D, SER137C, SER233C, SER233D, SER9C, SER9D, THR124C, THR124D, THR228C, THR228D, THR6C, THR6D, TRP126C, TRP126D, TRP236C, TRP236D, TRP96C, TRP96D, TYR120C, TYR120D, TYR259C, TYR259D, VAL256C, VAL256D, VAL95C, VAL95D
• B-D: ALA135B, ALA135D, ALA138B, ALA138D, ALA218B, ALA218D, ALA225B, ALA225D, ALA227D, ARG141B, ARG141D, ARG207B, ARG207D, ARG221B, ARG221D, ARG229B, ARG229D, ASN209B, ASN209D, ASP217B, ASP217D, GLU142B, GLU142D, GLU210B, GLU210D, GLU213B, GLU213D, GLU215B, GLU215D, GLU231B, 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, SER137B, SER137D, SER212B, SER212D, SER216B, SER216D, THR148B, THR148D