2JH3

the crystal structure of dr2241 from deinococcus radiodurans at 1.9 a resolution reveals a multi-domain protein with structural similarity to chelatases but also with two additional novel domains

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 119
  • Norm. En. per Res.: -4.3754
• 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	0.0	0.0	-0.0166	-0.0166	6	0	0	7	0	0	5
A-C	-98.8179	-103.2648	-318.586	-520.6687	119	9	4	12388	8	34	35
A-D	-42.257	-3.7167	-191.369	-237.3427	134	15	1	8780	1	47	34
B-C	-18.3281	-28.5986	-175.109	-222.0357	125	7	1	8002	1	42	38
B-D	-97.8148	-97.3258	-307.68	-502.8205	119	13	4	11999	6	35	39
C-D	0.0	8.4174	-0.0513	8.3661	2	0	0	4	0	2	1

Interface residues

• A-B: ASP410A, ASP410B, GLN418A, THR414B, THR433A, THR433B
• A-C: ALA315A, ALA315C, ALA337A, ALA337C, ALA416A, ALA416C, ALA417A, ALA417C, ALA421A, ALA421C, ARG291A, ARG291C, ARG307A, ARG307C, ARG314A, ARG314C, ARG339A, ARG339C, ARG341A, ARG341C, ARG347A, ARG347C, ARG351A, ARG351C, ARG425A, ARG425C, ARG427A, ARG427C, ASP311A, ASP311C, ASP318A, ASP318C, ASP335A, ASP335C, CYS420A, CYS420C, CYS423A, CYS423C, GLN418A, GLN418C, GLN436A, GLN436C, GLU294A, GLU294C, GLU312A, GLU312C, GLU336A, GLU336C, GLY293A, GLY293C, GLY313A, GLY313C, GLY338A, GLY338C, GLY435A, GLY435C, GLY441A, GLY441C, GLY444A, GLY444C, GLY445A, GLY445C, HIS308A, HIS308C, HIS432A, HIS432C, ILE438A, ILE438C, LEU292A, LEU292C, LEU296A, LEU296C, LEU310A, LEU310C, LEU319A, LEU319C, LEU349A, LEU349C, LEU424A, LEU424C, LEU434A, LEU434C, LEU446A, LEU446C, PRO350A, PRO350C, PRO443A, PRO443C, SER422A, SER422C, SER440A, SER440C, THR309A, THR309C, THR316A, THR316C, THR345A, THR345C, THR348A, THR348C, THR414A, THR414C, THR426A, THR426C, THR433A, THR433C, THR437C, TRP346A, TRP346C, TYR370A, TYR370C, VAL295A, VAL295C, VAL415A, VAL415C, VAL419A, VAL419C, VAL442A, VAL442C
• A-D: ALA126D, ALA128D, ALA20D, ALA218D, ALA219D, ALA250D, ALA252D, ALA27D, ALA315D, ALA379A, ALA394A, ALA402A, ALA407A, ALA430A, ARG129D, ARG149A, ARG19D, ARG307D, ARG314D, ARG334D, ARG354D, ARG383A, ARG384A, ARG395A, ARG396A, ARG403A, ARG406A, ARG427A, ARG84A, ASP130D, ASP318D, ASP330D, ASP410A, GLN127D, GLN223D, GLN22D, GLN23D, GLN320D, GLN397A, GLN405A, GLN411A, GLN436A, GLN48A, GLU134D, GLU16D, GLU220D, GLU247D, GLU26D, GLU305D, GLU326D, GLU381A, GLU466A, GLY135D, GLY15D, GLY215D, GLY242D, GLY243D, GLY246D, GLY327D, GLY338D, GLY352D, GLY399A, GLY431A, GLY435A, GLY464A, HIS213D, HIS240D, HIS248D, HIS380A, HIS382A, HIS386A, HIS432A, HIS9A, LEU132D, LEU207D, LEU211D, LEU214D, LEU222D, LEU226D, LEU317D, LEU319D, LEU328D, LEU331D, LEU385A, LEU401A, LEU428A, LEU434A, LYS216D, MET391A, PRO133D, PRO150A, PRO209D, PRO244D, PRO249D, PRO389A, PRO409A, PRO447A, SER377A, SER392A, SER440A, THR131D, THR136D, THR212D, THR316D, THR321D, THR324D, THR388A, THR398A, THR400A, THR408A, THR433A, THR437A, THR80A, TRP340D, TRP353D, TRP387A, TRP390A, TRP429A, TRP47A, TYR300D, TYR378A, TYR76A, VAL208D, VAL241D, VAL245D, VAL24D, VAL251D, VAL322D, VAL323D, VAL356D, VAL404A, VAL463A, VAL77A, VAL81A
• B-C: ALA20C, ALA219C, ALA250C, ALA252C, ALA27C, ALA315C, ALA337C, ALA379B, ALA394B, ALA402B, ALA407B, ALA430B, ARG129C, ARG149B, ARG19C, ARG314C, ARG329C, ARG334C, ARG354C, ARG383B, ARG384B, ARG395B, ARG403B, ARG406B, ARG427B, ARG84B, ASP130C, ASP318C, ASP330C, ASP410B, ASP413B, GLN127C, GLN223C, GLN23C, GLN320C, GLN397B, GLN405B, GLN411B, GLN436B, GLU134C, GLU16C, GLU220C, GLU247C, GLU26C, GLU381B, GLU462B, GLU466B, GLY135C, GLY15C, GLY215C, GLY242C, GLY243C, GLY246C, GLY327C, GLY338C, GLY352C, GLY399B, GLY431B, GLY435B, GLY464B, GLY75B, HIS213C, HIS240C, HIS248C, HIS380B, HIS382B, HIS386B, HIS432B, HIS9B, LEU132C, LEU207C, LEU211C, LEU214C, LEU222C, LEU226C, LEU317C, LEU319C, LEU328C, LEU331C, LEU385B, LEU428B, LEU434B, LYS216C, MET391B, PRO133C, PRO209C, PRO244C, PRO249C, PRO389B, PRO409B, PRO447B, SER377B, SER392B, SER440B, THR131C, THR136C, THR212C, THR316C, THR321C, THR324C, THR388B, THR398B, THR400B, THR408B, THR433B, THR437B, THR80B, TRP340C, TRP353C, TRP387B, TRP390B, TRP429B, TRP47B, TYR300C, TYR76B, VAL241C, VAL24C, VAL251C, VAL322C, VAL323C, VAL356C, VAL404B, VAL463B, VAL77B, VAL81B
• B-D: ALA315B, ALA315D, ALA337B, ALA337D, ALA416B, ALA416D, ALA417B, ALA417D, ALA421B, ALA421D, ARG291B, ARG291D, ARG307B, ARG307D, ARG314B, ARG314D, ARG339B, ARG339D, ARG341B, ARG341D, ARG347B, ARG347D, ARG351B, ARG351D, ARG425B, ARG425D, ARG427B, ARG427D, ASP311B, ASP311D, ASP318B, ASP318D, ASP335B, ASP335D, CYS420B, CYS420D, CYS423B, CYS423D, GLN418B, GLN418D, GLN436B, GLN436D, GLU294B, GLU294D, GLU312B, GLU312D, GLU336B, GLU336D, GLY293B, GLY293D, GLY313B, GLY313D, GLY338B, GLY338D, GLY352D, GLY435B, GLY435D, GLY441B, GLY441D, GLY444B, GLY444D, GLY445B, GLY445D, HIS308B, HIS308D, ILE438B, ILE438D, LEU292B, LEU292D, LEU296B, LEU296D, LEU310B, LEU310D, LEU319B, LEU319D, LEU349B, LEU349D, LEU424B, LEU424D, LEU434B, LEU434D, LEU446B, LEU446D, PRO350B, PRO350D, PRO443B, PRO443D, SER422B, SER422D, SER440B, SER440D, THR309B, THR309D, THR316B, THR316D, THR345B, THR345D, THR348B, THR348D, THR414B, THR414D, THR426B, THR426D, THR433B, THR433D, THR437B, THR437D, TRP346B, TRP346D, TYR370B, TYR370D, VAL295B, VAL295D, VAL415B, VAL415D, VAL419B, VAL419D, VAL442B, VAL442D
• C-D: ASP318C, ASP318D