3R4I

crystal structure of a citrate lyase (bxe_b2899) from burkholderia xenovorans lb400 at 2.24 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 25
  • Norm. En. per Res.: -5.2721
• Hub Node: B(4)

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	-39.3811	-2.8966	131.726	89.4483	71	38	0	2963	8	28	27
A-D	-30.2425	-49.5692	-51.9908	-131.8025	25	4	1	2242	4	8	14
A-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	0
B-C	0.0	0.0	-0.0201	-0.0201	4	0	0	15	0	0	1
B-D	0.0	24.1117	-21.4764	2.6353	23	7	0	1111	0	6	5
B-E	0.0	0.0	-0.0109	-0.0109	5	0	0	10	0	6	9
B-F	0.0	0.0	-0.0226	-0.0226	3	0	0	17	0	0	0
C-D	0.0	0.0	-5.4066	-5.4066	20	1	0	370	0	2	5
C-E	0.0	0.0	-3.212	-3.212	15	0	0	344	0	6	6
C-F	0.0	0.0	-1.034	-1.034	10	0	0	134	0	11	9
D-F	0.0	0.0	-0.0318	-0.0318	5	0	0	26	0	0	1
E-F	0.0	0.0	-4.122	-4.122	16	0	0	236	0	2	5

Interface residues

• A-B: ALA170A, ALA18A, ALA22A, ALA235A, ALA235B, ALA275A, ALA275B, ARG229A, ARG229B, ARG242A, ARG242B, ARG249A, ARG268A, ARG268B, ASN236A, ASN236B, ASN243A, ASN243B, ASP230A, ASP230B, ASP269A, ASP269B, CYS213A, CYS23A, GLU227A, GLU227B, GLU270A, GLU270B, GLU271A, GLU271B, GLU277A, GLU277B, GLY246A, HIS214A, HIS222A, HIS293A, HIS293B, HIS9B, ILE272A, ILE272B, ILE278A, ILE278B, LEU171A, LEU20A, LYS218A, PHE265A, PRO21A, PRO220A, PRO320A, PRO320B, SER221A, SER232A, SER232B, THR248A, THR273A, THR273B, THR274A, THR274B, THR276A, THR276B, TYR247A, TYR292A, TYR292B, VAL19A, VAL219A, VAL228A, VAL228B, VAL233A, VAL233B, VAL234A, VAL234B
• A-D: ALA38A, ALA38D, GLN42A, GLN42D, GLU30A, GLU30D, GLU76A, GLU76D, HIS77A, HIS77D, LEU32A, LEU32D, LEU34A, LEU34D, LEU68A, LEU68D, LEU72A, LEU72D, LYS31A, LYS31D, LYS35A, LYS35D, SER29A, SER29D, SER71A
• A-F: GLN321F, GLN42A
• B-C: ALA3B, GLU8C, LEU4B, LEU4C
• B-D: ALA105D, ALA106D, ALA323B, ALA324B, ALA63D, ALA66D, ALA70D, ARG100D, ARG104D, ASP322B, ASP97D, ASP98D, GLN321B, GLN64D, GLU67D, HIS94D, ILE102D, LEU101D, LEU103D, LEU138D, PRO320B, PRO325B, VAL99D
• B-E: ALA93E, ARG108B, GLU76B, GLY60E, LYS107B
• B-F: GLN286F, GLN42B, LEU4F
• C-D: ALA141C, ALA141D, ALA164C, ALA164D, ARG135C, ARG135D, ARG136C, GLN142C, GLN142D, GLU132C, GLU132D, GLY167C, GLY167D, ILE140D, LEU165C, LEU165D, PRO143C, PRO143D, PRO166C, PRO166D
• C-E: ARG108E, ARG79C, ARG79E, ASP78E, GLN41C, GLN41E, GLN42C, GLY44C, GLY44E, GLY81E, LEU43C, PHE80C, PHE80E, PRO45C, PRO45E
• C-F: ALA105C, ALA141F, ARG104C, GLN142F, GLY139F, ILE140F, LEU138F, LYS107C, LYS107F, SER71C
• D-F: ALA324D, GLN313D, GLN41F, GLN42F, PHE327D
• E-F: ALA141E, ALA141F, ALA164E, ALA164F, ARG135E, ARG135F, GLN142E, GLN142F, GLY167E, GLY167F, LEU165E, LEU165F, PRO143E, PRO143F, PRO166E, PRO166F